All Stories

  1. Trinuclear Zinc(II)-Schiff Base Complex: Synthesis, Structural Elucidation, DNA Interactions and Photocatalytic Dye Degradation

    Article • Journal of Molecular Structure, October 2025, Elsevier

    Dr Waldemar Maniukiewicz, Dr Antonio Frontera

  2. Uranine-doped ZIF-8 nanocomposites: A novel sensor for the electrochemical detection of milnacipran

    Article • Microchemical Journal, August 2025, Elsevier

    Dr Antonio Frontera

  3. 1,4-Phosphagermines: An Anionic 6π-heteroaromatic Biradicaloid and a Persistent π-Delocalized Radical

    Article • Inorganic Chemistry, June 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  4. Substantial Energies of Stabilization for Hg···S Spodium Bonding Interactions Beyond Standard van der Waals Separations

    Article • Crystal Growth & Design, June 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  5. When CuCl42– and CuBr42– Form Anion···Anion Networks Assembled via Cu···Cl/Br Regium Bonds

    Article • Crystal Growth & Design, June 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  6. A supramolecular coordination polymer incorporating lead(II) perchlorate, amino(pyridin-2-yl)methylenepyridin-1-ium-4-carbohydrazonate and thiocyanate as an auxiliary ligand

    Article • Inorganic Chemistry Communications, June 2025, Elsevier

    Dr Antonio Frontera

  7. Insights from solid state self-assembly of a triazine derivative involving multitude of organic fluorine interactions

    Article • Journal of Molecular Structure, June 2025, Elsevier

    Dr Antonio Frontera

  8. Luminescent Liquid-Crystalline J-Aggregate Based on a Columnar Axial Coassembly

    Article • Journal of the American Chemical Society, May 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  9. Halogen-Bonded Cocrystals for Tunable Phosphorescence Emission of Pt Complexes

    Article • Inorganic Chemistry, May 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  10. Osme Bonds in Molecular Crystals: Structural Insights, Substituent Effects, and Energetic Features

    Article • Crystal Growth & Design, May 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  11. Impact of the Coformer Carbon-Chain Length on the Properties of Haloperidol Pharmaceutical Salts

    Article • Crystal Growth & Design, April 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  12. Phenyl-Substituted Thiaboranes─Linked 2D and 3D Aromatics as Noncovalent Organic Framework Materials

    Article • Inorganic Chemistry, April 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  13. 8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular R44(8)/R22(16) Synthons, DFT Rationalization, and Biological Insights

    Article • ACS Omega, April 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  14. A joint action of coordination, hydrogen and tetrel bonds toward a new 2D coordination polymer of lead(II) perchlorate and N'-isonicotinoylpyrazine-2-carbohydrazonamide

    Article • Inorganic Chemistry Communications, April 2025, Elsevier

    Dr Antonio Frontera

  15. Hydrophilic and hydrophobic interactions in the solid forms of the β-sitosterol cocrystal with propionic acid: A combined experimental and computational study

    Article • Journal of Molecular Structure, April 2025, Elsevier

    Dr Antonio Frontera

  16. Synthesis, X-ray characterization, and DFT study of six deferiprone analogues

    Article • Journal of Molecular Structure, April 2025, Elsevier

    Dr Antonio Frontera

  17. Inclusion of an Ion Triplet Complex within a Noncovalently Assembled Supramolecular Dimeric Capsular Assembly

    Article • Crystal Growth & Design, March 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  18. A Serendipitous Synthesis of N,N'-Diethyloxamide: Crystallographic and Computational Analysis of its Solid-State Structure

    Article • March 2025, MDPI AG

    Dr Antonio Frontera

  19. Perfluoroaromatic Bisselanes: From Molecular Design to Supramolecular Architecture Through Tandem σ/π‐hole Interactions

    Article • Chemistry - An Asian Journal, March 2025, Wiley

    Dr Antonio Frontera

  20. The Role of Chalcogen Bonding in Organic Dichalcogenides of Biological Interest

    Article • Chemistry - An Asian Journal, February 2025, Wiley

    Dr Antonio Frontera

  21. Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies

    Article • Inorganics, February 2025, MDPI AG

    Dr Antonio Frontera

  22. A novel Co(II) complex with sulfamethoxazole ligand: Isostructuralism, non-covalent interactions, Hirshfeld surfaces, crystal voids and energy calculations

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Dr Antonio Frontera

  23. Structural and theoretical insights into the influence of thiocyanate ligands on divalent metal complexes with terpyridine derivatives

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Dr Antonio Frontera

  24. Interplay of Tetrel, Hydrogen, and Halogen Bonds in F3GeOCl and HCN Complexes: A Comprehensive Theoretical Study of Dimers, Trimers, and Tetramers

    Article • The Journal of Physical Chemistry A, January 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  25. AuIII Acyclic (Amino)(N-Pyridinium)carbenoids: Synthesis via Addition of 2-PySeCl to AuI-Bound Isonitriles, Structures, and Cytotoxicity

    Article • International Journal of Molecular Sciences, January 2025, MDPI AG

    Dr Antonio Frontera

  26. Combining Distibene, Diazoolefins, and Visible Light: Synthesis and Reactivity of Inorganic Rings

    Article • Journal of the American Chemical Society, January 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  27. Interaction of a Novel Dihydroxy Dibenzoazacrown with Different Surfactants: A Physicochemical and Spectroscopic Investigation

    Article • The Journal of Physical Chemistry, January 2025, American Chemical Society (ACS)

    Dr Antonio Frontera

  28. Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  29. Synthesis, structural characterization, and DFT investigation of a mixed-valence Co(iii)/Co(ii) complex stabilized by supramolecular interactions

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  30. 1,3-Dipolar cycloaddition reactions of triflatophosphanes to afford functionalized azaphospholium salts and azaphospholes

    Article • Inorganic Chemistry Frontiers, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  31. Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations

    Article • Chemical Communications, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  32. Exploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study

    Article • Physical Chemistry Chemical Physics, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  33. Harnessing borane-potassium cooperativity for sulfurated ring-opening copolymerisation

    Article • Green Chemistry, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  34. Impact of isomeric ligands on molecular stacking and semiconducting behavior in square planar Ni(ii) complexes

    Article • New Journal of Chemistry, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  35. Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  36. New salt-solvates of Mirabegron: a combined experimental and computational study

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  37. Noble gas bonds facilitate anion⋯anion supramolecular assemblies: insights from CSD and DFT analysis

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  38. Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water

    Article • Chemical Science, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  39. Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  40. Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  41. Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  42. The matere bond

    Article • Dalton Transactions, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  43. Tuning luminescence in gold(i)-phosphine complexes: structural, photophysical, and theoretical insights

    Article • Inorganic Chemistry Frontiers, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  44. Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid

    Article • CrystEngComm, January 2025, Royal Society of Chemistry

    Dr Antonio Frontera

  45. Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies

    Article • December 2024, MDPI AG

    Dr Antonio Frontera

  46. Binding of a Co(III) Metalloporphyrin to Amines in Water: Influence of the pKa and Aromaticity of the Ligand, and pH-Modulated Allosteric Effect

    Article • Inorganic Chemistry, December 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  47. Nucleophilicity of the Nitrile N Atom Whose Lone Pair Is Blocked by Metal Coordination. The π-Hole Interaction between an Arene Carbon and the Metal-Bound Nitrile Nitrogen

    Article • Inorganic Chemistry, December 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  48. Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)6] {Cu(Him)4[Cu(μ-EDTA)(Him)]2}·6H2O (1) as the Novel Imidazolium(+) Salt (H2im)2[Cu(Him)4{(µ-EDTA)Cu(Him)}2]·2H2O (2)—A Comparative Look to Their Crystal Structures, Thermal, Spectral and Ma...

    Article • International Journal of Molecular Sciences, December 2024, MDPI AG

    Dr Antonio Frontera

  49. Zwitterionic 2‐Phosphaethene‐thiolates [(LC)P=CS(LC/P)]+ as PCS Building Blocks (LC=NHC, LP=PR3)

    Article • Angewandte Chemie, November 2024, Wiley

    Dr Antonio Frontera

  50. Zwitterionic 2‐Phosphaethene‐thiolates [(LC)P=CS(LC/P)]+ as PCS Building Blocks (LC=NHC, LP=PR3)

    Article • Angewandte Chemie, November 2024, Wiley

    Dr Antonio Frontera

  51. Diverse Cyclization Pathways Between Nitriles with Active α-Methylene Group and Ambiphilic 2-Pyridylselenyl Reagents Enabled by Reversible Covalent Bonding

    Article • International Journal of Molecular Sciences, November 2024, MDPI AG

    Dr Antonio Frontera

  52. Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations

    Article • ChemistrySelect, November 2024, Wiley

    Dr Antonio Frontera

  53. Synergistic σ/π-Hole Interactions Directing Supramolecular Assembly: Tellurium···Platinum Chalcogen Bonding Enhanced by π-Stacking

    Article • Crystal Growth & Design, November 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  54. Chalcogen Bonding between Tellurium(II) and the Isocyanide Carbon

    Article • Crystal Growth & Design, November 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  55. Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)<sub>6</sub>] {μ-Cu(Him)<sub>4</sub>[Cu(EDTA)(Him)]<sub>2</sub>}·6H<sub>2</sub>O (1) as the Novel Imidazolium(+) Salt (H<sub>2</sub>...

    Article • November 2024, MDPI AG

    Dr Antonio Frontera

  56. Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding

    Article • Crystal Growth & Design, November 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  57. Novel benzoyl and acetyl pyrazine-2-carbohydrazonamide hybrid derivatives: Experimental and theoretical insights

    Article • Inorganic Chemistry Communications, November 2024, Elsevier

    Dr Antonio Frontera

  58. Synthesis and X-ray characterization of two new 1,4-benzoxazine derivatives: Structural analysis and DFT calculations

    Article • Journal of Molecular Structure, November 2024, Elsevier

    Dr Antonio Frontera

  59. Noncoordinating Anions as Key Modulators of Supramolecular Structures, Optical and Electrical Properties in Nickel(II) Complexes

    Article • ACS Omega, October 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  60. Cover Feature: Tetrel Bond Affects the Self‐Assembly of Acetylcholine and its Analogues and is an Ancillary Interaction in Protein Binding (Chem. Eur. J. 59/2024)

    Article • Chemistry - A European Journal, October 2024, Wiley

    Dr Antonio Frontera

  61. Crystallographic Evidence for Bi(I) as the Heaviest Halogen Bond Acceptor

    Article • Journal of the American Chemical Society, October 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  62. Unusual Metal–organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine dicarboxylates: Supramolecular Assemblies and Theoretical Studies

    Article • Inorganics, October 2024, MDPI AG

    Dr Antonio Frontera

  63. Substituent Effect on Regium Bonding in Copper(II) Complexes of 4-Substituted Pyridines: Crystallographic and Computational Study

    Article • Crystal Growth & Design, October 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  64. Supramolecular assemblies involving unusual N(nitrile)∙∙∙π(fum) and nitrile-nitrile non-covalent contacts in fumarato and succinato bridged polymers of Co(II) and Ni(II): Experimental and theoretical studies

    Article • Journal of Molecular Structure, October 2024, Elsevier

    Dr Antonio Frontera

  65. Synthesis, Structural Characterization, and Theoretical Analysis of Nonconventional Bonding in Dinuclear Zinc(II) Complexes with Tridentate Schiff Bases

    Article • ACS Omega, September 2024, American Chemical Society (ACS)

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  66. A Nanosized Porous Supramolecular Lead(II)–N′-phenyl(pyridin-2-yl)methylene-N-phenylthiosemicarbazide Aggregate, Obtained Under Electrochemical Conditions

    Article • Inorganic Chemistry, September 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  67. Tetrel Bond Affects the Self‐Assembly of Acetylcholine and its Analogues and is an Ancillary Interaction in Protein Binding

    Article • Chemistry - A European Journal, September 2024, Wiley

    Dr Antonio Frontera

  68. A Tetranuclear copper(II) Complex with a Pyridine‐2,6‐dicarboxamide Ligand: Structural and Magnetic Properties and In vitro Antiproliferative Activity Against Human Cancer Cells

    Article • ChemistrySelect, September 2024, Wiley

    Dr Antonio Frontera

  69. Schottky Device Fabrication of Linear Dicarboxylato-Bridged Mn(II) and Co(II) Coordination Polymers: Experimental and Theoretical Insights

    Article • Crystal Growth & Design, August 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  70. On the Significant Importance of Hg···Cl Spodium Bonding/σ/π-Hole/Noncovalent Interactions and Nanoelectronic/Conductivity Applications in Mercury Complexes: Insights from DFT Spectrum

    Article • Crystal Growth & Design, August 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  71. Unusual Metal-Organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine Dicarboxylates: Supamolecular Assemblies and Theoretical Studies

    Article • August 2024, MDPI AG

    Dr Antonio Frontera

  72. Synthesis, Reactivity, and Theoretical Insights of Co-Sb2 and Co-Bi2 Rings

    Article • Organometallics, August 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  73. Introducing Cationic Selenium-Containing Triazapentadiene Ligand Framework: Synthesis, Coordination Chemistry, and Antifungal Activity

    Article • Inorganic Chemistry, July 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  74. Supramolecular assembly in Cu(II) and Zn(II) compounds with pyridine and anthraquinone-1,5-disulfonate: Experimental and theoretical analysis

    Article • Inorganica Chimica Acta, July 2024, Elsevier

    Dr Antonio Frontera

  75. On the Existence of Matere Bonds in Pentacoordinated Manganese Complexes: A Combined Experimental and Theoretical Investigation

    Article • Crystal Growth & Design, June 2024, American Chemical Society (ACS)

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  76. Light‐Dependent Reactivity of Heavy Pnictogen Double Bonds

    Article • Angewandte Chemie, June 2024, Wiley

    Dr Antonio Frontera

  77. Light‐Dependent Reactivity of Heavy Pnictogen Double Bonds

    Article • Angewandte Chemie, June 2024, Wiley

    Dr Antonio Frontera

  78. Using Hybrid PDI-Fe3O4 Nanoparticles for Capturing Aliphatic Alcohols: Halogen Bonding vs. Lone Pair–π Interactions

    Article • International Journal of Molecular Sciences, June 2024, MDPI AG

    Dr Antonio Frontera

  79. Supramolecular Assemblies in Mn(II) and Zn(II) Metal–Organic Compounds Involving Phenanthroline and Benzoate: Experimental and Theoretical Studies

    Article • Inorganics, May 2024, MDPI AG

    Dr Antonio Frontera

  80. Synthesis, Structural Characterisation, and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid

    Article • Molecules, May 2024, MDPI AG

    Dr Antonio Frontera

  81. Silver(I) Octanuclear Complexes Containing N′-(4-Oxotiazolidin-2-Iliden)picolinohydrazonamide and Nitrate as Bridge Ligands. An Example of Solvatomorphism?

    Article • Inorganic Chemistry, May 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  82. Fascinating inclusion of metal–organic complex moieties in dinuclear Mn(II) and Zn(II) compounds involving pyridinedicarboxylates and phenanthroline: Experimental and theoretical studies

    Article • Polyhedron, May 2024, Elsevier

    Dr Antonio Frontera

  83. Solvent-Induced Polymorphism in a Schiff Base Compound and Their Distinguishing Effects on Semiconducting Behaviors for Utilization in Photosensitive Schottky Devices

    Article • Crystal Growth & Design, April 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  84. Synthesis, Structural Characterization and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid

    Article • April 2024, MDPI AG

    Dr Antonio Frontera

  85. Supramolecular Assemblies in Mn(II) and Zn(II) Metal-Organic Compounds Involving Phenanthroline and Benzoate: Experimental and Theoretical Studies

    Article • April 2024, MDPI AG

    Dr Antonio Frontera

  86. ‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

    Article • Inorganics, April 2024, MDPI AG

    Dr Antonio Frontera

  87. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

    Article • Crystals, March 2024, MDPI AG

    Dr Antonio Frontera

  88. Halogen Bonding in Stereoselective Metal Chloride (M–Cl) Bond Activation and Transformation to Metal Triiodide (M–I3)

    Article • Crystal Growth & Design, March 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  89. On the Existence of Pnictogen Bonding Interactions in As(III) S‐Adenosylmethionine Methyltransferase Enzymes

    Article • Chemistry - An Asian Journal, March 2024, Wiley

    Dr Antonio Frontera

  90. Energetic Features of H-bonded and π-stacked Assemblies in Pyrazole-based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

    Article • March 2024, MDPI AG

    Dr Antonio Frontera

  91. Investigating Recurrent Matere Bonds in Pertechnetate Compounds

    Article • Chemistry - A European Journal, February 2024, Wiley

    Dr Antonio Frontera

  92. Halogen Bonding as a Supramolecular Modulator of Crystal Packing and Exchange Interactions in Nitronyl Nitroxides

    Article • Crystal Growth & Design, February 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  93. Hybrid 2D Supramolecular Organic Frameworks (SOFs) Assembled by the Cooperative Action of Hydrogen and Halogen Bonding and π⋯π Stacking Interactions

    Article • International Journal of Molecular Sciences, February 2024, MDPI AG

    Dr Antonio Frontera

  94. Crystallographic, theoretical and conductivity studies of two new complexes [Ni(II) and Cu(II)] based on mixed ligands approach

    Article • Journal of Molecular Structure, February 2024, Elsevier

    Dr Antonio Frontera

  95. One-Dimensional and Two-Dimensional Zn(II) Coordination Polymers with Ditopic Imidazo[1,5-a]pyridine: A Structural and Computational Study

    Article • Molecules, January 2024, MDPI AG

    Dr Antonio Frontera

  96. Investigating the Impact of Packing and Environmental Factors on the Luminescence of Pt(N^N^N) Chromophores

    Article • Inorganic Chemistry, January 2024, American Chemical Society (ACS)

    Dr Antonio Frontera

  97. Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(iii/ii/iii) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, struct...

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  98. Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  99. The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  100. A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  101. A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation

    Article • Chemical Communications, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  102. A novel approach for estimating the strength of argentophilic and aurophilic interactions using QTAIM parameters

    Article • Physical Chemistry Chemical Physics, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  103. Aerial carbon dioxide conversion to carbonate mediated by a lead(ii) complex with tridentate bipyridine containing a hydrazide ligand under electrochemical conditions yielding single-component white-light-emitting phosphors

    Article • Inorganic Chemistry Frontiers, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  104. Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  105. CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  106. Effect of substituents on the 1O2 production and biological activity of (N^N^N)Pt(py) complexes

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  107. Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(ii) coordination polymer of elusive topology

    Article • Chemical Communications, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  108. Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study

    Article • New Journal of Chemistry, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  109. Internal Coulombic assistance in intermolecular frustrated Lewis pair activation of dihydrogen

    Article • New Journal of Chemistry, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  110. Interplay of a nitro group and metal ions: from coordinative binding to noncovalent semicoordination

    Article • Inorganic Chemistry Frontiers, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  111. Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  112. Magnetic study and DFT analysis of a doubly carboxylato-bridged Co(ii) derivative anchored with a ‘scorpionate’ precursor as a potential electrocatalyst for heterogeneous H2 evolution

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  113. N-Confused strapped calix[4]pyrrole: the missing member of calix[4]pyrrole chemistry

    Article • Organic & Biomolecular Chemistry, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  114. On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  115. Reaction contest: hydrolysis versus intramolecular cyclisation reaction in alkyl squaramate esters

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  116. Shift of the reduction potential of nickel(ii) Schiff base complexes in the presence of redox innocent metal ions

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  117. Shortening CN⋯Br–Csp3 halogen bonds via π-stacking

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  118. Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  119. Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  120. Te⋯I secondary-bonding interactions in crystals containing tellurium(ii), tellurium(iv) and iodide atoms: supramolecular aggregation patterns, nature of the non-covalent interactions and energy considerations

    Article • CrystEngComm, January 2024, Royal Society of Chemistry

    Dr Antonio Frontera

  121. Substituent Effect on Chalcogen Bonding in 5-Substituted Benzo[c][1,2,5]selenadiazoles and Their Copper(II) Complexes: Experimental and Theoretical Study

    Article • Crystal Growth & Design, December 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  122. Experimental and Theoretical Survey of Intramolecular Spodium Bonds/σ/π-Holes and Noncovalent Interactions in Trinuclear Zn(II)-Salen Type Complex with OCN– Ions: A Holistic View in Crystal Engineering

    Article • ACS Omega, December 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  123. Chalcogen and Hydrogen Bond Team up in Driving Anion⋅⋅⋅Anion Self‐Assembly

    Article • Chemistry - A European Journal, December 2023, Wiley

    Dr Antonio Frontera

  124. Triiodide-Based Chair-Like Copper Complex Assembled by Halogen Bonding

    Article • Inorganic Chemistry, December 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  125. Cover Feature: Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds? (ChemPhysChem 24/2023)

    Article • ChemPhysChem, December 2023, Wiley

    Dr Antonio Frontera

  126. Supramolecular Nature of Multicomponent Crystals Formed from 2,2′-Thiodiacetic Acid with 2,6-Diaminopurine or N9-(2-Hydroxyethyl)adenine

    Article • International Journal of Molecular Sciences, December 2023, MDPI AG

    Dr Antonio Frontera

  127. A Computational Chemistry Investigation of the Influence of Steric Bulk of Dithiocarbamato-Bound Organic Substituents upon Spodium Bonding in Three Homoleptic Mercury(II) Bis(N,N-dialkyldithiocarbamato) Compounds for Alkyl = Ethyl, Isobutyl, and Cycloh...

    Article • Inorganics, December 2023, MDPI AG

    Dr Antonio Frontera

  128. Supramolecular Nature of Multicomponent Crystals Formed from 2,2’‐thiodiacetic acid with 2,6‐diaminopurine or N9‐(2‐Hydroxyethyl)adenine

    Article • November 2023, MDPI AG

    Dr Antonio Frontera

  129. Spodium Bonds Involving Methylmercury and Ethylmercury in Proteins: Insights from X-ray Analysis and Computations

    Article • Inorganic Chemistry, October 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  130. Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements through Substituent Effects: A DFT Study

    Article • International Journal of Molecular Sciences, October 2023, MDPI AG

    Dr Antonio Frontera

  131. Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds?

    Article • ChemPhysChem, October 2023, Wiley

    Dr Antonio Frontera

  132. Pd(II)-Mediated Activation of Halonitriles in Different Solvents: Role of Noncovalent Interactions and Isolation of a Pd(0)/Pd(II) Complex

    Article • Crystal Growth & Design, October 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  133. Push–Pull and Conventional Nitriles as Halogen Bond Acceptors in Their Cocrystals with Iodo-Substituted Perfluorobenzenes

    Article • Crystal Growth & Design, October 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  134. Cover Feature: Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron‐Density Acceptors (Chem. Eur. J. 60/2023)

    Article • Chemistry - A European Journal, September 2023, Wiley

    Dr Antonio Frontera

  135. Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron‐Density Acceptors**

    Article • Chemistry - A European Journal, September 2023, Wiley

    Dr Antonio Frontera

  136. Chalcogen Bonding in the Decoration of the Secondary Coordination Sphere of Copper(II) Complexes: Activation of Nitriles, the Auxiliary Ligand Substituent Effect

    Article • Crystal Growth & Design, August 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  137. H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O

    Article • Molecules, August 2023, MDPI AG

    Dr Antonio Frontera

  138. Fluorogenic In Situ Thioacetalization: Expanding the Chemical Space of Fluorescent Probes, Including Unorthodox, Bifurcated, and Mechanosensitive Chalcogen Bonds

    Article • JACS Au, August 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  139. H(N3)dap (Hdap = 2,6-diaminopurine) Recognition by Cu<sub>2</sub>(EGTA): Structure, Physical Properties and DFT-Calculations of [Cu<sub>4</sub>(μ-EGTA)<sub>2</sub>(μ-H(N3)dap)<sub>2</sub>(H<sub>2<...

    Article • August 2023, MDPI AG

    Dr Antonio Frontera

  140. The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H2O)]·2H2O

    Article • Molecules, August 2023, MDPI AG

    Dr Antonio Frontera

  141. Isocyanide π-Hole Interactions Supported by Aurophilic Forces

    Article • Crystals, July 2023, MDPI AG

    Dr Antonio Frontera

  142. Isocyanide π-Hole Interactions Supported by Aurophilic Forces

    Article • July 2023, MDPI AG

    Dr Antonio Frontera

  143. Halogen Bonding Assembles Anion⋅⋅⋅Anion Architectures in Non‐centrosymmetric Iodate and Bromate Crystals

    Article • ChemPhysChem, June 2023, Wiley

    Dr Antonio Frontera

  144. Combined σ- and π-Hole Donor Properties of Perfluorinated Iodo(or bromo)benzenes: Halogen Bonding and π-Hole Interactions in Cocrystals Including Cu4I4 Clusters

    Article • Crystal Growth & Design, June 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  145. The copper(II)-Thiodiacetate (Tda) Chelate As Efficient Receptor of N9-(2-Hydroxyethyl)adenine (9heade). Synthesis, Molecular and Crystal Structures, Physical Properties and Dft Calculations of [Cu(tda)(9heade)(H2O)]·2H2O

    Article • June 2023, MDPI AG

    Dr Antonio Frontera

  146. On the Importance of H-Bonding Interactions in the Enclathration of Boric Acids in Na(I) Polymers: Experimental and Theoretical Studies

    Article • Crystals, May 2023, MDPI AG

    Dr Antonio Frontera

  147. Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

    Article • Crystals, May 2023, MDPI AG

    Dr Antonio Frontera

  148. Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives

    Article • Inorganics, May 2023, MDPI AG

    Dr Antonio Frontera

  149. Ligand and Gold(I) Fluorescein–AIEgens as Photosensitizers in Solution and Doped Polymers

    Article • Inorganic Chemistry, May 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  150. Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand

    Article • Inorganic Chemistry, May 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  151. Hydrogen Bonding, π‐Stacking, and Aurophilic Interactions in Two Dicyanoaurate(I)‐Based Manganese(II) Complexes with Auxiliary Bis‐Pyridine Ligands

    Article • ChemPlusChem, May 2023, Wiley

    Dr Antonio Frontera

  152. Cationic Phosphinidene as a Versatile P1 Building Block: [LC–P]+ Transfer from Phosphonio–Phosphanides [LC–P–PR3]+ and Subsequent LC Replacement Reactions (LC = N-H...

    Article • Journal of the American Chemical Society, April 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  153. Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications

    Article • Inorganic Chemistry, April 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  154. Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C═O···C═O Tetrel Bonding Interactions at Work

    Article • Journal of Chemical Information and Modeling, April 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  155. Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double σ-Hole Donating Halolium with CuI-Containing O,O-Donors

    Article • Inorganic Chemistry, March 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  156. Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen–Chalcogen and Halogen–Hydrogen Supramolecular Synthons

    Article • Crystal Growth & Design, March 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  157. Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies

    Article • Crystals, March 2023, MDPI AG

    Dr Antonio Frontera

  158. The Origin of Anion−π Autocatalysis

    Article • JACS Au, March 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  159. A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies

    Article • International Journal of Molecular Sciences, March 2023, MDPI AG

    Dr Antonio Frontera

  160. Novel Chalcogen Bond Donors Derived from [3+2] Cycloaddition Reaction between 2-Pyridylselenyl Reagents and Isocyanates: Synthesis, Structures and Theoretical Studies

    Article • Crystal Growth & Design, March 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  161. Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding

    Article • Crystal Growth & Design, March 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  162. Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study

    Article • Molecules, March 2023, MDPI AG

    Dr Antonio Frontera

  163. Halogen Bond‐Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of I⋅⋅⋅C Non‐covalent Interaction

    Article • Chemistry - An Asian Journal, March 2023, Wiley

    Dr Antonio Frontera

  164. Rational Coformer Selection in the Development of 6-Propyl-2-Thiouracil Pharmaceutical Cocrystals

    Article • Pharmaceuticals, February 2023, MDPI AG

    Dr Antonio Frontera

  165. Unconventional Dual Donor-Acceptor Topologies of Aromatic Rings in Amine-Based Polymeric Tetrahedral Zn(II) Compounds Involving Unusual Non-Covalent Contacts: Antiproliferative Evaluation and Theoretical Studies

    Article • Crystals, February 2023, MDPI AG

    Dr Antonio Frontera

  166. Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions

    Article • Inorganics, February 2023, MDPI AG

    Dr Antonio Frontera

  167. Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts

    Article • Crystal Growth & Design, February 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  168. Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead(II) Phosphorodithioates: An Implication on Crystal Engineering

    Article • Crystal Growth & Design, February 2023, American Chemical Society (ACS)

    Dr Antonio Frontera

  169. Supramolecular assemblies involving energetically significant unconventional π(CN)-π and anion-π(nitrile) contacts in Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies

    Article • Journal of Molecular Structure, February 2023, Elsevier

    Dr Antonio Frontera

  170. Cooperativity effects in a new pterostilbene/phenanthroline cocrystal

    Article • Journal of Molecular Structure, February 2023, Elsevier

    Dr Antonio Frontera

  171. Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies

    Article • Crystals, January 2023, MDPI AG

    Dr Antonio Frontera

  172. Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations

    Article • Crystals, January 2023, MDPI AG

    Dr Antonio Frontera

  173. Se⋯π Chalcogen Bonding in 1,2,4-Selenodiazolium Tetraphenylborate Complexes

    Article • Symmetry, January 2023, MDPI AG

    Dr Antonio Frontera

  174. Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  175. Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Ezequiel M Vázquez-López

  176. σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(vii)

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  177. σ-Hole triel bonds in aluminium derivatives

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  178. Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  179. An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  180. Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  181. Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  182. Halogen bonding between metal-bound I3− and unbound I2: the trapped I2⋯I3− intermediate in the controlled assembly of copper(i)-based polyiodides

    Article • Inorganic Chemistry Frontiers, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  183. Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  184. Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  185. Group-10 π-hole⋯dz2[MII] interactions: a theoretical study of model systems inspired by CSD structures

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  186. Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  187. Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  188. A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    Professor Ali A El-Emam, Dr Antonio Frontera

  189. An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  190. Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2donor reduced Schiff base ligands

    Article • New Journal of Chemistry, January 2023, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  191. Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  192. The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands

    Article • New Journal of Chemistry, January 2023, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  193. An experimental and computational investigation of the elusive anhydrous form of Oxyma-B

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  194. Biological noncovalent N/O⋯V interactions: insights from theory and protein data bank analyses

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  195. Capturing volatile organic compounds using Ag and Au nanoparticles: regium–π and C–H⋯Ag/Au interactions at work

    Article • Journal of Materials Chemistry A, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  196. Chalcogen bonding in copper(ii)-mediated synthesis

    Article • Faraday Discussions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  197. Columnar liquid-crystalline J-aggregates based on N-core-substituted naphthalene diimides

    Article • Journal of Materials Chemistry C, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  198. Enzymatic reversion of Pt(ii) nucleophilicity through charge dumping: the case of Pt(CN)42−

    Article • Chemical Communications, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  199. Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  200. Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  201. Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)

    Article • New Journal of Chemistry, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  202. Sulfate-induced large amplitude conformational change in a Solomon link

    Article • Chemical Communications, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  203. Supramolecular aggregation featuring Hg⋯S secondary-bonding interactions in crystals of mercury(ii) species augmented by computational chemistry calculations

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  204. Supramolecular luminescent Pt(ii) tweezers: aggregation studies and 1O2 production

    Article • Inorganic Chemistry Frontiers, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  205. Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  206. Synthesis, X-ray characterization and DFT analysis of dicyanidoaurate telluronium salts: on the importance of charge assisted chalcogen bonds

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  207. Tetrel bonds involving a CF3 group participate in protein–drug recognition: a combined crystallographic and computational study

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  208. Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds

    Article • CrystEngComm, January 2023, Royal Society of Chemistry

    Dr Antonio Frontera

  209. Interchangeability and Disorder in the Solid‐State Structures of “Two Wall” Calix[4]pyrroles Equipped with Iodine and Ethynyl para ‐Substituents

    Article • Chemistry - An Asian Journal, December 2022, Wiley

    Dr Antonio Frontera

  210. A Tetranuclear Ni(II)-Cubane Cluster Molecule Build by Four µ3-O-Methanolate (MeO) Ligands, Externally Cohesive by Four Unprecedented Bridging µ2-N7,O6-Acyclovirate (acv-H) Anions

    Article • Crystals, December 2022, MDPI AG

    Dr Antonio Frontera

  211. Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination

    Article • Molecules, December 2022, MDPI AG

    Dr Antonio Frontera

  212. Crystal Engineering of Pb(II)-Salen Coordination Polymer Enforced for The Selective Fluorescence NACs Sensing Activity in a Dispersed Aqueous Medium: A Combined Experimental and Theoretical DFT Monologue

    Article • Journal of Molecular Structure, December 2022, Elsevier

    Dr Antonio Frontera

  213. Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding

    Article • International Journal of Molecular Sciences, November 2022, MDPI AG

    Dr Antonio Frontera

  214. Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

    Article • Inorganic Chemistry, November 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  215. Pnictogen‐Bonding Catalysts, Compared to Tetrel‐Bonding Catalysts: More Than Just Weak Lewis Acids

    Article • Helvetica Chimica Acta, November 2022, Wiley

    Dr Antonio Frontera

  216. Stacking Interactions: A Supramolecular Approach to Upgrade Weak Halogen Bond Donors

    Article • Chemistry - A European Journal, November 2022, Wiley

    Dr Antonio Frontera

  217. Dual-Ligand Strategy Employing Rigid 2,5-Thiophenedicarboxylate and 1,10-Phenanthroline as Coligands for Solvothermal Synthesis of Eight Lanthanide(III) Coordination Polymers: Structural Diversity, DFT Study, and Exploration of the Luminescent Tb(III) ...

    Article • ACS Omega, October 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  218. Dicarboxylic Acid-Based Co-Crystals of Pyridine Derivatives Involving Structure Guiding Unconventional Synthons: Experimental and Theoretical Studies

    Article • Crystals, October 2022, MDPI AG

    Dr Antonio Frontera

  219. Exploration of supramolecular and theoretical aspects of two new Cu(II) complexes: On the importance of lone pair···π(chelate ring) and π···π(chelate ring) interactions

    Article • Journal of Molecular Structure, October 2022, Elsevier

    Dr Antonio Frontera

  220. Anion···Anion [AuI4]−···[AuI2]− Complex Trapped in the Solid State by Tetramethylammonium Cations

    Article • Crystal Growth & Design, September 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  221. Synthesis and X‐ray Characterization of 4,5‐Dihydropyrazolyl‐Thiazoles Bearing a Coumarin Moiety: On the Importance of Antiparallel π‐Stacking

    Article • ChemistrySelect, September 2022, Wiley

    Dr Antonio Frontera

  222. Crystallographic and Theoretical Study of Osme Bonds in Nitrido-Osmium(VI) Complexes

    Article • Inorganics, September 2022, MDPI AG

    Dr Antonio Frontera

  223. Isocyanide and Cyanide Entities Form Isostructural Halogen Bond-Based Supramolecular Networks Featuring Five-Center Tetrafurcated Halogen···C/N Bonding

    Article • Crystal Growth & Design, August 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  224. Benzene, an Unexpected Binding Unit in Anion–π Recognition: The Critical Role of CH/π Interactions

    Article • Sci, August 2022, MDPI AG

    Dr Antonio Frontera

  225. Halogen···Halogen and π–Hole Interactions in Supramolecular Aggregates and Electrical Conductivity Properties of Cu(II)-Based 1D Coordination Polymers

    Article • Crystal Growth & Design, August 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  226. Investigation of solid state architectures in tetrazolyl tryptophol stabilized by crucial aromatic interactions and hydrogen bonding: Experimental and theoretical analysis

    Article • Journal of Molecular Structure, August 2022, Elsevier

    Dr Antonio Frontera

  227. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, July 2022, International Union of Crystallography

    Dr Antonio Frontera

  228. DFT–Assisted Structure Determination from Powder X-ray Diffraction Data of a New Zonisamide/ϵ-Caprolactam Cocrystal

    Article • Crystals, July 2022, MDPI AG

    Dr Antonio Frontera

  229. Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors

    Article • Chemistry - A European Journal, July 2022, Wiley

    Dr Antonio Frontera

  230. Revision of the Crystal Structure of the Orthorhombic Polymorph of Oxyma: On the Importance of π–Hole Interactions and Their Interplay with H–Bonds

    Article • Crystals, June 2022, MDPI AG

    Dr Antonio Frontera

  231. Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study

    Article • International Journal of Molecular Sciences, June 2022, MDPI AG

    Dr Antonio Frontera

  232. Role of Redox-Inactive Metal Ions in Modulating the Reduction Potential of Uranyl Schiff Base Complexes: Detailed Experimental and Theoretical Studies

    Article • Inorganic Chemistry, April 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  233. Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study (ChemPhysChem...

    Article • ChemPhysChem, April 2022, Wiley

    Dr Antonio Frontera

  234. Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations

    Article • International Journal of Molecular Sciences, April 2022, MDPI AG

    Dr Antonio Frontera

  235. Direct conversion of white phosphorus to versatile phosphorus transfer reagents via oxidative onioation

    Article • Nature Chemistry, April 2022, Springer Science + Business Media

    Dr Antonio Frontera

  236. Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study

    Article • ChemPhysChem, March 2022, Wiley

    Dr Antonio Frontera

  237. Anion-Responsive Fluorescent Supramolecular Gels

    Article • Molecules, February 2022, MDPI AG

    Dr Antonio Frontera

  238. Topochemical [2 + 2] Cycloaddition in a Two-Dimensional Metal–Organic Framework via SCSC Transformation Impacts Halogen···Halogen Interactions

    Article • Inorganic Chemistry, February 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  239. Anion–π Catalysis Enabled by the Mechanical Bond**

    Article • Angewandte Chemie, February 2022, Wiley

    Dr Antonio Frontera

  240. Anion–π Catalysis Enabled by the Mechanical Bond**

    Article • Angewandte Chemie, February 2022, Wiley

    Dr Antonio Frontera

  241. Multicomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides

    Article • Crystals, January 2022, MDPI AG

    Dr Antonio Frontera

  242. Aza-Crown-Based Macrocyclic Probe Design for “PET-off” Multi-Cu2+ Responsive and “CHEF-on” Multi-Zn2+ Sensor: Application in Biological Cell Imaging and Theoretical Studies

    Article • Inorganic Chemistry, January 2022, American Chemical Society (ACS)

    Dr Antonio Frontera

  243. Frontispiece: Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering

    Article • Chemistry - A European Journal, January 2022, Wiley

    Dr Antonio Frontera

  244. Oxalic Acid, a Versatile Coformer for Multicomponent Forms with 9-Ethyladenine

    Article • Crystals, January 2022, MDPI AG

    Dr Antonio Frontera

  245. Large interaction energy for the homodimer and the heterodimer extracted from the supramolecular chain of a bent trinuclear zinc(ii) complex with a reduced Schiff base ligand

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  246. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  247. Host–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  248. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  249. Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  250. Chameleonic metal-bound isocyanides: a π-donating CuI-center imparts nucleophilicity to the isocyanide carbon toward halogen bonding

    Article • Inorganic Chemistry Frontiers, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  251. Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {...

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  252. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical ...

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  253. Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  254. Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  255. Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  256. Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  257. Enhancing chalcogen bonding by metal coordination

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  258. Inorganic–organic {dz2-MIIS4}⋯π-hole stacking in reverse sandwich structures: the case of cocrystals of group 10 metal dithiocarbamates with electron-deficient arenes

    Article • Inorganic Chemistry Frontiers, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  259. Iodine(i) complexes incorporating sterically bulky 2-substituted pyridines

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  260. Metallophilic interactions in silver(i) dicyanoaurate complexes

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  261. Static discrete disorder in the crystal structure of iododiflunisal: on the importance of hydrogen bond, halogen bond and π-stacking interactions

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  262. Expanding the toolbox of the coinage bond: adducts involving new gold(iii) derivatives and bioactive molecules

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  263. On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  264. Insight into non-covalent interactions in a [Cu(N3)4]2− bridged hetero-pentanuclear copper(ii)/sodium complex with special emphasis on the strong CH⋯π[Cu(N3)4] interactions

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  265. Hydrogen and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  266. On the energetic stability of halogen bonds involving metals: implications in crystal engineering

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  267. Centroid⋯centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  268. Combined computational/experimental investigation of new cocrystals of the drug bosentan

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  269. Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  270. Unprecedented {dz2-CuIIO4}⋯π-hole interactions: the case of a cocrystal of a Cu(ii) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  271. Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6 : 7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  272. Fumarato and phthalato bridged dinuclear metal–organic Cu(ii) and Mn(ii) compounds involving infinite fumarate–water assemblies and unusual structure-guiding H-bonded synthons: antiproliferative evaluation and theoretical studies

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  273. Heterovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(ii)⋯Ch(i) (Ch = S, Se, Te) linkage

    Article • Inorganic Chemistry Frontiers, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  274. On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands

    Article • CrystEngComm, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  275. Supramolecular gold(i) vesicles: an in-depth study of their aggregation process

    Article • Inorganic Chemistry Frontiers, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  276. Importance of Cu and Ag regium–π bonds in supramolecular chemistry and biology: a combined crystallographic and ab initio study

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  277. The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr Antonio Frontera

  278. Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal

    Article • Crystal Growth & Design, December 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  279. Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape

    Article • Pharmaceutics, December 2021, MDPI AG

    Dr Antonio Frontera

  280. Metalloid Chalcogen–pnictogen σ-hole bonding competition in stibanyl telluranes

    Article • Journal of Organometallic Chemistry, December 2021, Elsevier

    Dr Antonio Frontera

  281. On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis

    Article • International Journal of Molecular Sciences, November 2021, MDPI AG

    Dr Antonio Frontera

  282. On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms

    Article • Crystals, November 2021, MDPI AG

    Dr Antonio Frontera

  283. Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study

    Article • ChemBioChem, November 2021, Wiley

    Dr Antonio Frontera

  284. Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering

    Article • Chemistry - A European Journal, October 2021, Wiley

    Dr Antonio Frontera

  285. On the Importance of σ–Hole Interactions in Crystal Structures

    Article • Crystals, October 2021, MDPI AG

    Dr Antonio Frontera

  286. Uracil Derivatives for Halogen-Bonded Cocrystals

    Article • International Journal of Molecular Sciences, October 2021, MDPI AG

    Dr Antonio Frontera

  287. An insight into the supramolecular interactions in two linear polyvanadates

    Article • Journal of Molecular Structure, October 2021, Elsevier

    Dr Antonio Frontera

  288. Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study

    Article • Journal of Chemical Theory and Computation, September 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  289. Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions

    Article • ChemPhysChem, September 2021, Wiley

    Dr Antonio Frontera

  290. Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies

    Article • Inorganica Chimica Acta, September 2021, Elsevier

    Dr Antonio Frontera

  291. Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study

    Article • ACS Chemical Biology, August 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  292. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements

    Article • Angewandte Chemie, August 2021, Wiley

    Dr Antonio Frontera

  293. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements

    Article • Angewandte Chemie, August 2021, Wiley

    Dr Antonio Frontera

  294. Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function

    Article • Journal of Chemical Information and Modeling, August 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  295. Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving μ3-I···(Cl,Cl,Pt) Halogen Bond

    Article • Crystal Growth & Design, August 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  296. 1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies

    Article • Crystal Growth & Design, August 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  297. Diastereoselective Amplification of a Mechanically Chiral [2]Catenane

    Article • Journal of the American Chemical Society, July 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  298. Ligand Steric Hindrances Switch Bridging (μ2-I)···O,O to Two-Center I···O Halogen-Bonding Mode in the Assembly of Diketonate Copper(II) Species

    Article • Crystal Growth & Design, June 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  299. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate

    Article • Angewandte Chemie, May 2021, Wiley

    Dr Antonio Frontera

  300. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate

    Article • Angewandte Chemie, May 2021, Wiley

    Dr Antonio Frontera

  301. Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside

    Article • Pharmaceuticals, May 2021, MDPI AG

    Dr Antonio Frontera

  302. Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative

    Article • Inorganica Chimica Acta, May 2021, Elsevier

    Dr Antonio Frontera

  303. Azine Steric Hindrances Switch Halogen Bonding to N ‐Arylation upon Interplay with σ‐Hole Donating Haloarenenitriles

    Article • Chemistry - An Asian Journal, April 2021, Wiley

    Dr Antonio Frontera

  304. Using Room Temperature Phosphorescence of Gold(I) Complexes for PAHs Sensing

    Article • Molecules, April 2021, MDPI AG

    Dr Antonio Frontera

  305. Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions

    Article • Inorganic Chemistry, March 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  306. Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids

    Article • Crystals, March 2021, MDPI AG

    Dr Antonio Frontera

  307. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor

    Article • JACS Au, February 2021, American Chemical Society (ACS)

    Dr Antonio Frontera

  308. Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid

    Article • Journal of Molecular Structure, February 2021, Elsevier

    Dr Antonio Frontera

  309. A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: coordination-induced generation of a π-hole towards a tetrel-bonding stabilized structure

    Article • Journal of Molecular Structure, February 2021, Elsevier

    Dr Antonio Frontera

  310. An insight to the spin density distribution and non-covalent interactions in a carboxylate bridged class-I mixed valence cobalt(II),cobalt(III) complex of quadruplet nature

    Article • Inorganica Chimica Acta, February 2021, Elsevier

    Dr Antonio Frontera

  311. H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate

    Article • Crystals, January 2021, MDPI AG

    Dr Antonio Frontera

  312. Energetically significant nitrile⋯nitrile and unconventional C–H⋯π(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies

    Article • Journal of Molecular Structure, January 2021, Elsevier

    Dr Antonio Frontera

  313. A supramolecular 3D structure constructed from a new metal chelate self-assembled from Sn(NCS)2 and phenyl(pyridin-2-yl)methylenepicolinohydrazide

    Article • Journal of Molecular Structure, January 2021, Elsevier

    Dr Antonio Frontera

  314. An insight into the role of supramolecular interactions to stabilize the solid state structure of an octahedral nickel(II) diamine complex

    Article • Inorganica Chimica Acta, January 2021, Elsevier

    Dr Antonio Frontera

  315. Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical predictionviaDFT study

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  316. A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  317. Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  318. Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  319. Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  320. Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  321. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera, Arely Cano

  322. Biologically relevant and energetically significant cooperative ternary (π–π)2/(π–π)1/(π–π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  323. Molecular 1,1′-bifunctional mixed-valence P–P compounds, enabled through metal complexation

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  324. Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  325. A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  326. Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  327. On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  328. Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  329. A convenient access to fluorophosphonium triflate salts by electrophilic fluorination and anion exchange

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  330. A homonuclear π-system with a singlet carbene-type α and a nucleophilic β phosphorus – the first use in P-heterocyclic synthesis

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  331. An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  332. Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  333. Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases

    Article • Organic & Biomolecular Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  334. Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate–water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferati...

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  335. Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  336. Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  337. Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  338. Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  339. Dual role of silver in a fluorogenic N-squaraine probe based on Ag(i)–π interactions

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera, Carmen Rotger

  340. Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  341. Glutamate carboxypeptidase II as a model system for designing host–guest units: a theoretical approach

    Article • Organic & Biomolecular Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  342. Highly polar stacking interactions wrap inorganics in organics: lone-pair–π-hole interactions between the PdO4 core and electron-deficient arenes

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  343. Iodonium complexes of the tertiary amines quinuclidine and 1-ethylpiperidine

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  344. Scientists find an easy way to produce novel macrocyclic molecules containing iodine

    Article • Chemical Communications, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera, Colin Caveney (Kudos Admin)

  345. Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  346. Nickel(ii) complexes based on dithiolate–polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  347. Novel ‘main-part’ isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  348. Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(i) and silver(i) complexes

    Article • Chemical Communications, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  349. Selenium chalcogen bonds are involved in protein–carbohydrate recognition: a combined PDB and theoretical study

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  350. Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  351. Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretica...

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  352. Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  353. Synthesis of Ni(ii)–Mn(ii) complexes using a new mononuclear Ni(ii) complex of an unsymmetrical N2O3 donor ligand: structures, magnetic properties and catalytic oxidase activity

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  354. Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of the through-space α-effect

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  355. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  356. Ultrashort Hδ+⋯Hδ− intermolecular distance in a supramolecular system in the solid state

    Article • Chemical Communications, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  357. Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  358. Unprecedented [d9]Cu⋯[d10]Au coinage bonding interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2]− salt

    Article • Chemical Communications, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  359. X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones

    Article • New Journal of Chemistry, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  360. π-Hole spodium bonding in tri-coordinated Hg(ii) complexes

    Article • Dalton Transactions, January 2021, Royal Society of Chemistry

    Dr Antonio Frontera

  361. Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations

    Article • Crystals, December 2020, MDPI AG

    Dr Antonio Frontera

  362. Interconvertible Hydrochlorothiazide–Caffeine Multicomponent Pharmaceutical Materials: A Solvent Issue

    Article • Crystals, November 2020, MDPI AG

    Dr Antonio Frontera

  363. Bifurcated μ2-I···(N,O) Halogen Bonding: The Case of (Nitrosoguanidinate)NiII Cocrystals with Iodine(I)-Based σ-Hole Donors

    Article • Crystal Growth & Design, November 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  364. Supramolecular architectures of Mn(NCS)2 complexes with N'-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N'-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide

    Article • Polyhedron, November 2020, Elsevier

    Dr Antonio Frontera

  365. Unconventional formation of a 1D-chain of H-bonded water molecules in bipyridine-based supramolecular hexameric hosts of isostructural coordination compounds of Co(II) and Zn(II): Antiproliferative evaluation and theoretical studies

    Article • Polyhedron, November 2020, Elsevier

    Dr Antonio Frontera

  366. Reaction of Cu(II) Chelates with Uranyl Nitrate to Form a Coordination Complex or H-Bonded Adduct: Experimental Observations and Rationalization by Theoretical Calculations

    Article • Inorganic Chemistry, October 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  367. A tetrameric uudd type water cluster encapsulated in a dinuclear vanadium(V) schiff base complex and its role in the formation of supramolecular assemblies: A joint experimental and theoretical study

    Article • Inorganica Chimica Acta, October 2020, Elsevier

    Dr Antonio Frontera

  368. Energetically Significant Cooperative π-stacked Ternary Assemblies in Ni(II) Phenanthroline Compounds involving Discrete Water Clusters: Anticancer Activities and Theoretical Studies

    Article • Journal of Molecular Structure, October 2020, Elsevier

    Dr Antonio Frontera

  369. Existence of stronger C–H···π(chelate ring) interaction compared to C–H···π(arene) interactions in the supramolecular assembly of dinuclear iron(III) Schiff base complexes: A theoretical insight

    Article • Inorganica Chimica Acta, October 2020, Elsevier

    Dr Antonio Frontera

  370. Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H…π/π…π interactions

    Article • Journal of Molecular Structure, October 2020, Elsevier

    Dr Antonio Frontera

  371. Energetically significant anti-parallel π-stacking and unconventional anion-π interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies

    Article • Inorganica Chimica Acta, October 2020, Elsevier

    Dr Antonio Frontera

  372. Exploitation of the electron deficient outer O4 compartment of a compartmental Schiff base to act as H-bond acceptors in forming a self-assembled dimer of a manganese(III) complex: A joint experimental and theoretical venture

    Article • Polyhedron, October 2020, Elsevier

    Dr Antonio Frontera

  373. In-vitro prediction of the membranotropic action of emerging organic contaminants using a liposome-based multidisciplinary approach

    Article • The Science of The Total Environment, October 2020, Elsevier

    Dr Antonio Frontera

  374. Naphthalenediimides with Cyclic Oligochalcogenides in Their Core

    Article • Chemistry - A European Journal, October 2020, Wiley

    Dr Antonio Frontera

  375. Two copper (II) complexes derived from anthranilic acid and 4-iodo-anthranilic acid Schiff bases: Structural elucidation, halogen bonding interactions and catalytic study using 3,5-DTBC

    Article • Journal of Molecular Structure, October 2020, Elsevier

    Dr Antonio Frontera

  376. Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment

    Article • International Journal of Molecular Sciences, September 2020, MDPI AG

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  377. Tetrel Bonding Interactions Involving Carbon at Work: Recent Advances in Crystal Engineering and Catalysis

    Article • C – Journal of Carbon Research, September 2020, MDPI AG

    Dr Antonio Frontera

  378. Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates

    Article • Crystal Growth & Design, September 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  379. Regium−π Bonds Are Involved in Protein–Gold Binding

    Article • The Journal of Physical Chemistry Letters, September 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  380. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide

    Article • Molecules, September 2020, MDPI AG

    Dr Antonio Frontera, Prof. Dr. Axel Klein

  381. DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal

    Article • Crystal Growth & Design, September 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  382. Two New Hydrogen-bonded Supramolecular Dioxo-molybdenum(VI) Complexes Based on Acetyl-Hydrazone Ligands: Synthesis, Crystal Structure and DFT Studies

    Article • Journal of Molecular Structure, September 2020, Elsevier

    Dr Antonio Frontera

  383. Coordination polymers of manganese(II), cobalt(II), nickel(II) and cadmium(II) decorated with rigid pyrazine-2,3-dicarboxylic acid linker: Synthesis, structural diversity, DFT study and magneto-luminescence properties

    Article • Polyhedron, September 2020, Elsevier

    Dr Antonio Frontera

  384. Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands

    Article • Polyhedron, September 2020, Elsevier

    Dr Antonio Frontera

  385. New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane

    Article • Inorganica Chimica Acta, September 2020, Elsevier

    Dr Antonio Frontera

  386. σ- and π-Hole Interactions

    Article • Crystals, August 2020, MDPI AG

    Dr Antonio Frontera

  387. Magnetically separable nanocatalyst (IL@CuFe2O4-L-Tyr-TiO2/TiTCIL): Preparation, Characterization and its applications in 1,2,3-triazole synthesis and in photodegradation of MB

    Article • Journal of Molecular Structure, August 2020, Elsevier

    Dr Antonio Frontera

  388. Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides

    Article • Molecules, July 2020, MDPI AG

    Dr Antonio Frontera

  389. Engineering Crystals Using sp 3 ‐C Centred Tetrel Bonding Interactions

    Article • Chemistry - A European Journal, July 2020, Wiley

    Dr Antonio Frontera

  390. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

    Article • Angewandte Chemie, July 2020, Wiley

    Dr Antonio Frontera

  391. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

    Article • Angewandte Chemie, July 2020, Wiley

    Dr Antonio Frontera

  392. Correction to “Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer”

    Article • Inorganic Chemistry, July 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  393. Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations

    Article • Crystals, July 2020, MDPI AG

    Dr Antonio Frontera

  394. One-Pot Route to X-perfluoroarenes (X = Br, I) Based on FeIII-Assisted C–F Functionalization and Utilization of These Arenes as Building Blocks for Crystal Engineering Involving Halogen Bonding

    Article • Crystal Growth & Design, July 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  395. Halogen Bonds in Protein Nucleic Acid Recognition

    Article • Journal of Chemical Theory and Computation, June 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  396. Quantifying Intramolecular Halogen Bonds in Nucleic Acids: A Combined Protein Data Bank and Theoretical Study

    Article • ACS Chemical Biology, June 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  397. π-Hole···dz2[PtII] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of PtII-Based Luminophores

    Article • Inorganic Chemistry, June 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  398. Role of Imidazole Co–Ligand in the Supramolecular Network of a Co(II) Complex with Sulfadiazine: Crystal Structure, Hirshfeld Surface Analysis and Energetic Calculations

    Article • ChemistrySelect, June 2020, Wiley

    Dr Antonio Frontera

  399. Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer

    Article • Inorganic Chemistry, May 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  400. Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅d[Pt II ] Halogen Bonds

    Article • Chemistry - A European Journal, May 2020, Wiley

    Dr Antonio Frontera

  401. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts

    Article • The Journal of Organic Chemistry, May 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  402. Novel Cd (II) Coordination Polymers Afforded with EDTA or Trans-1,2-Cdta Chelators and Imidazole, Adenine, or 9-(2-Hydroxyethyl) Adenine Coligands

    Article • Crystals, May 2020, MDPI AG

    Dr Antonio Frontera

  403. Covalent and Non-covalent Noble Gas Bonding Interactions in XeFn Derivatives (n = 2–6): A Combined Theoretical and ICSD Analysis

    Article • Frontiers in Chemistry, May 2020, Frontiers

    Dr Antonio Frontera

  404. Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines

    Article • Crystals, May 2020, MDPI AG

    Dr Antonio Frontera

  405. Straightforward Three-Component Synthesis of N′,N′′-Disubstituted N-Alkyl-1,3,5-Triazinanes

    Article • Synlett, April 2020, Thieme Publishing Group

    Dr Antonio Frontera

  406. Anion–Cation Recognition Pattern, Thermal Stability and DFT-Calculations in the Crystal Structure of H2dap[Cd(HEDTA)(H2O)] Salt (H2dap = H2(N3,N7)-2,6-Diaminopurinium Cation)

    Article • Crystals, April 2020, MDPI AG

    Dr Antonio Frontera

  407. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigation

    Article • Chemistry - A European Journal, April 2020, Wiley

    Dr Antonio Frontera

  408. Front Cover: Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations (Chem. Eur. J. 21/2020)

    Article • Chemistry - A European Journal, April 2020, Wiley

    Dr Antonio Frontera

  409. 9-Ethyladenine: Mechanochemical Synthesis, Characterization, and DFT Calculations of Novel Cocrystals and Salts

    Article • Crystal Growth & Design, April 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  410. Charge‐Assisted Chalcogen Bonds: CSD and DFT Analyses and Biological Implication in Glucosidase Inhibitors

    Article • Chemistry - A European Journal, April 2020, Wiley

    Dr Antonio Frontera

  411. Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains

    Article • Journal of Inorganic Biochemistry, April 2020, Elsevier

    PhD Julia Lorenzo, Dr Antonio Frontera, Professor Ezequiel M Vázquez-López

  412. Not Only Hydrogen Bonds: Other Noncovalent Interactions

    Article • Crystals, March 2020, MDPI AG

    Dr Antonio Frontera

  413. Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide

    Article • Inorganica Chimica Acta, March 2020, Elsevier

    Dr Antonio Frontera

  414. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations

    Article • Chemistry - A European Journal, February 2020, Wiley

    Dr Antonio Frontera

  415. Recurrent Supramolecular Motifs in a Series of Acid–Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- and Intramolecular Hydrogen Bonding

    Article • Crystal Growth & Design, February 2020, American Chemical Society (ACS)

    Dr Antonio Frontera

  416. Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations

    Article • Journal of Molecular Structure, February 2020, Elsevier

    Dr Antonio Frontera

  417. A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand

    Article • Polyhedron, February 2020, Elsevier

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  418. Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies

    Article • Inorganica Chimica Acta, February 2020, Elsevier

    Dr Antonio Frontera, Swah Islam

  419. Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, February 2020, Elsevier

    Dr Antonio Frontera

  420. Molecular and supramolecular recognition patterns in ternary copper(II) or zinc(II) complexes with selected rigid-planar chelators and a synthetic adenine-nucleoside

    Article • Journal of Inorganic Biochemistry, February 2020, Elsevier

    Dr Antonio Frontera

  421. Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives

    Article • Journal of Inorganic Biochemistry, February 2020, Elsevier

    Dr Antonio Frontera

  422. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment

    Article • Coordination Chemistry Reviews, February 2020, Elsevier

    Dr Antonio Frontera

  423. The Effect of Guest Metal Ions on the Reduction Potentials of Uranium(VI) Complexes: Experimental and Theoretical Investigations

    Article • Chemistry - A European Journal, January 2020, Wiley

    Dr Antonio Frontera

  424. On the Role of Water as a Catalyst in Prebiotic Chemistry

    Article • ChemPhysChem, January 2020, Wiley

    Dr Antonio Frontera

  425. Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

    Article • Molecules, January 2020, MDPI AG

    Dr Antonio Frontera

  426. Front Cover: Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives (Eur. J. Org. Chem. 2/2020)

    Article • European Journal of Organic Chemistry, January 2020, Wiley

    Dr Antonio Frontera

  427. Energetically significant unconventional O H⋯π contacts involving discrete guest (H2O)8 clusters in a fumarato bridged polymeric supramolecular host of Ni(II) phenanthroline: Antiproliferative evaluation and theoretical studies

    Article • Polyhedron, January 2020, Elsevier

    Dr Antonio Frontera

  428. Metal–organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  429. Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π–π interactions

    Article • Organic & Biomolecular Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera, Carmen Rotger

  430. A series of hydrogen bond mediated dinuclear nickel(II) complexes with reduced Schiff base ligands: An insight into the nature of their short intermolecular hydrogen bonds

    Article • Polyhedron, January 2020, Elsevier

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  431. Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  432. DFT analysis of supra-molecular assemblies of substituted 4H-pyran derivatives

    Article • Journal of Molecular Structure, January 2020, Elsevier

    Dr Antonio Frontera

  433. Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex

    Article • Chemical Communications, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  434. Halogen⋯halogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  435. Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental a...

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  436. Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations

    Article • RSC Advances, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  437. Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  438. Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  439. Charge assisted halogen and pnictogen bonds: insights from the Cambridge Structural Database and DFT calculations

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  440. Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  441. Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  442. Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C–H⋯Cl and π⋯π interactions

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  443. Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  444. Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  445. Radical⋯radical chalcogen bonds: CSD analysis and DFT calculations

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  446. Selective functionalisation of aromatic alcohols with supramolecularly regulated gold(i) catalysts

    Article • Organic Chemistry Frontiers, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera, Anton Vidal-Ferran

  447. Asymmetric [N–I–N]+ halonium complexes

    Article • Chemical Communications, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  448. Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations

    Article • Chemical Science, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  449. A late appearing polymorph of nutraceutical pterostilbene

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  450. Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and the...

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  451. Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  452. Diaryliodonium as a double σ-hole donor: the dichotomy of thiocyanate halogen bonding provides divergent solid state arylation by diaryliodonium cations

    Article • Organic Chemistry Frontiers, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  453. Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group

    Article • Organic & Biomolecular Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  454. Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  455. A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  456. Recurrent motifs in pharmaceutical cocrystals involving glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  457. Methylene spacer regulated variation in supramolecular assembly of zinc(ii) dicyanamide complexes with reduced Schiff base ligands: synthesis, structure and DFT study

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  458. A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(iii) complexes

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  459. Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  460. Recurrent π(arene)⋯π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  461. Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  462. Unravelling the electronic nature of C–F⋯O–C non-covalent interaction in proteins and small molecules in the solid state

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  463. On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera, Dr ARIJIT DAS

  464. Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  465. Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  466. A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  467. Correction: Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesm...

    Article • CrystEngComm, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  468. Synthesis, structural and DFT interpretation of a Schiff base assisted Mn(III) derivative

    Article • Journal of Molecular Structure, January 2020, Elsevier

    Dr Antonio Frontera

  469. Zn(II) and Co(II) derivatives anchored with scorpionate precursor: Antiproliferative evaluation in human cancer cell lines

    Article • Journal of Inorganic Biochemistry, January 2020, Elsevier

    Dr Antonio Frontera

  470. On the importance of π-hole spodium bonding in tricoordinated HgII complexes

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Dr Antonio Frontera

  471. Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties

    Article • ACS Omega, December 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  472. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties

    Article • ChemPhysChem, December 2019, Wiley

    Dr Antonio Frontera

  473. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties

    Article • ChemPhysChem, December 2019, Wiley

    Dr Antonio Frontera

  474. Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies

    Article • Inorganica Chimica Acta, December 2019, Elsevier

    Dr Antonio Frontera, Swah Islam

  475. Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies

    Article • Inorganica Chimica Acta, December 2019, Elsevier

    Dr Antonio Frontera, Swah Islam

  476. Synthesis and characterization of a manganese(III) schiff base complex and exploration of Br···Br interaction in the solid state structure of the complex

    Article • Journal of Coordination Chemistry, November 2019, Taylor & Francis

    Dr Antonio Frontera

  477. Antiproliferative evaluation and supramolecular association in Mn(II) and Zn(II) bipyridine complexes: Combined experimental and theoretical studies

    Article • Journal of Inorganic Biochemistry, November 2019, Elsevier

    Dr Antonio Frontera

  478. Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives

    Article • European Journal of Organic Chemistry, October 2019, Wiley

    Dr Antonio Frontera

  479. A combined experimental and computational study of a supramolecular assembly based on cationic zinc(II)-ethanesulfonate

    Article • Journal of Molecular Structure, October 2019, Elsevier

    Dr Antonio Frontera

  480. Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations

    Article • Journal of Molecular Structure, October 2019, Elsevier

    Dr Antonio Frontera

  481. Definition of the chalcogen bond (IUPAC Recommendations 2019)

    Article • Pure and Applied Chemistry, September 2019, De Gruyter

    Prof Giuseppe Resnati, Dr Antonio Frontera

  482. Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in Crystal Engineering: A Combined Experimental and Theoretical Study on a Series of Hemi- and Holodirected Nickel(II)/Lead(II) Complexes

    Article • Crystal Growth & Design, September 2019, American Chemical Society (ACS)

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  483. π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures

    Article • Chemistry - A European Journal, September 2019, Wiley

    Dr Antonio Frontera

  484. Surface Modification of Pseudoboehmite-Coated Aluminum Plates with Squaramic Acid Amphiphiles

    Article • ACS Omega, September 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  485. Two Geometrical Isomers of a 1D Coordination Polymer: Rationalization by Theoretical Calculations and Variation of Electrical Properties with the Change in Binding Mode of Dicarboxylate Linker

    Article • Crystal Growth & Design, August 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  486. Anion–π Interactions in Light‐Induced Reactions: Role in the Amidation of (Hetero)aromatic Systems with Activated N ‐Aryloxyamides

    Article • Chemistry - A European Journal, August 2019, Wiley

    Dr Antonio Frontera

  487. Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds

    Article • Polyhedron, August 2019, Elsevier

    Dr Antonio Frontera

  488. Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions

    Article • International Journal of Molecular Sciences, July 2019, MDPI AG

    Dr Antonio Frontera

  489. A combined experimental and theoretical analysis of the solid-state supramolecular self-assembly of N-(2,4-dichlorophenyl)-1-naphthamide: Synthesis, anticholinesterase potential and molecular docking analysis

    Article • Journal of Molecular Structure, July 2019, Elsevier

    Dr Antonio Frontera

  490. 5,5'-Dibenzoimidazole as Building Block for a New 3D Co(II) Coordination Polymer: A Combined EPR and DFT Study Using UB3LYP Model

    Article • Polyhedron, July 2019, Elsevier

    Dr Antonio Frontera

  491. Energetically significant unconventional π-π contacts involving fumarate in a novel coordination polymer of Zn(II): In-vitro anticancer evaluation and theoretical studies

    Article • Inorganica Chimica Acta, July 2019, Elsevier

    Dr Antonio Frontera

  492. Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands

    Article • Crystals, June 2019, MDPI AG

    Dr Antonio Frontera

  493. Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding: Experimental and theoretical studies

    Article • Journal of Molecular Structure, June 2019, Elsevier

    Dr Antonio Frontera, Swah Islam

  494. Tri-nuclear copper-cadmium complexes of a N2O2-donor ligand with the variation of counter anions: Structural elucidation and theoretical study on inter-molecular interactions

    Article • Inorganica Chimica Acta, June 2019, Elsevier

    Dr Antonio Frontera

  495. A Series of Lanthanide-Based Metal–Organic Frameworks Derived from Furan-2,5-dicarboxylate and Glutarate: Structure-Corroborated Density Functional Theory Study, Magnetocaloric Effect, Slow Relaxation of Magnetization, and Luminescent Properties

    Article • Inorganic Chemistry, May 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  496. Gallic Acid Dimer As a Double π–Hole Donor: Evidence from X-ray, Theoretical Calculations, and Generalization from the Cambridge Structural Database

    Article • Crystal Growth & Design, May 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  497. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link

    Article • Angewandte Chemie, May 2019, Wiley

    Dr Antonio Frontera

  498. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link

    Article • Angewandte Chemie, May 2019, Wiley

    Dr Antonio Frontera

  499. Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: anticancer evaluation and theoretical studies

    Article • Polyhedron, May 2019, Elsevier

    Dr Antonio Frontera

  500. Spectral, electrochemical and DFT studies of a trimetallic CuII Derivative: Antimycobacterial and cytotoxic activity

    Article • Inorganica Chimica Acta, May 2019, Elsevier

    Dr Antonio Frontera

  501. Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

    Article • Crystals, April 2019, MDPI AG

    Dr Antonio Frontera

  502. Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives

    Article • ACS Omega, April 2019, American Chemical Society (ACS)

    Dr Antonio Frontera

  503. Theoretical ab Initio Study on Cooperativity Effects between Nitro π‐hole and Halogen Bonding Interactions

    Article • ChemPhysChem, April 2019, Wiley

    Dr Antonio Frontera

  504. Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions

    Article • Chemistry - A European Journal, April 2019, Wiley

    Dr Antonio Frontera

  505. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds

    Article • Coordination Chemistry Reviews, April 2019, Elsevier

    Dr Antonio Frontera

  506. An inorganic–organic hybrid supramolecular framework based on the γ-[Mo8O26]4−cluster and cobalt complex of aspartic acid: X-ray structure and DFT study

    Article • Acta Crystallographica Section C Structural Chemistry, March 2019, International Union of Crystallography

    Dr Antonio Frontera, masoud mirzaei

  507. Synthesis, X‐ray characterization and density functional theory studies of N 6 ‐benzyl‐N 6 ‐methyladenine–M(II) complexes (M = Zn, Cd): The prominent role of π–π, C–H···π and anion–π interactions

    Article • Applied Organometallic Chemistry, March 2019, Wiley

    Dr Antonio Frontera

  508. Anion–π Catalysis

    Article • March 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  509. From P-Functional Thiazol-2-thione Derivatives to Phosphaalkenes

    Article • European Journal of Inorganic Chemistry, March 2019, Wiley

    Dr Antonio Frontera

  510. A novel oxalato bridged supramolecular ternary complex of Cu(II) involving energetically significant π-hole interaction: Experimental and theoretical studies

    Article • Inorganica Chimica Acta, March 2019, Elsevier

    Dr Antonio Frontera

  511. A triple alkoxo bridged dinuclear cobalt(III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis

    Article • Journal of Organometallic Chemistry, March 2019, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  512. Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis

    Article • Inorganica Chimica Acta, March 2019, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  513. Supramolecular association in Cu(II) coordination complexes involving energetically significant NO⋯NO π–hole interaction and cooperative π-stacked ternary assembly: Experimental and theoretical studies

    Article • Inorganica Chimica Acta, March 2019, Elsevier

    Dr Antonio Frontera

  514. Supramolecular association involving nitrile–nitrile interactions in polymeric Mn(II) coordination complexes: A combined experimental and theoretical study

    Article • Inorganica Chimica Acta, March 2019, Elsevier

    Dr Antonio Frontera, Swah Islam

  515. EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor

    Article • Polyhedron, February 2019, Elsevier

    Dr Antonio Frontera

  516. Supramolecular coordination chemistry of group IIB compounds

    Article • Acta Crystallographica Section C Structural Chemistry, January 2019, International Union of Crystallography

    Professor Mathias O. Senge, Dr Antonio Frontera

  517. Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases

    Article • Inorganics, January 2019, MDPI AG

    Dr Antonio Frontera

  518. Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex

    Article • Inorganica Chimica Acta, January 2019, Elsevier

    Dr Antonio Frontera

  519. Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  520. H-Bonded anion–anion complexes in fentanyl citrate polymorphs and solvates

    Article • Chemical Communications, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  521. 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  522. Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  523. Halogen bonding effects on the outcome of reactions at metal centres

    Article • Chemical Communications, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Anton Vidal-Ferran

  524. Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  525. On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  526. Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  527. On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  528. Unexpected chalcogen bonds in tetravalent sulfur compounds

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  529. Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  530. Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, PhD Julia Lorenzo, Professor Ezequiel M Vázquez-López

  531. Formation of an imidazoliumyl-substituted [(LC)4P4]4+tetracation and transition metal mediated fragmentation and insertion reaction (LC= NHC)

    Article • Chemical Science, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  532. “Like–like” tetrel bonding interactions between Sn centres: a combinedab initioand CSD study

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  533. Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  534. Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  535. Effects of N-oxidation on the molecular and crystal structures and properties of isocinchomeronic acid, its metal complexes and their supramolecular architectures: experimental, CSD survey, solution and theoretical approaches

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  536. Influence of the aromatic surface on the capacity of adsorption of VOCs by magnetite supported organic–inorganic hybrids

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  537. Intramolecular π–hole interactions with nitro aromatics

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  538. Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  539. closo-Carboranes as dual CH⋯π and BH⋯π donors: theoretical study and biological significance

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  540. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  541. Chloranilate bridged dinuclear copper(ii) complexes: syn–anti geometry tuned by the steric factor and supramolecular interactions

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  542. Controlled scrambling reactions to polyphosphanes via bond metathesis reactions

    Article • Chemical Science, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  543. Formation of a tetranuclear supramolecule via non-covalent Pb⋯Cl tetrel bonding interaction in a hemidirected lead(ii) complex with a nickel(ii) containing metaloligand

    Article • CrystEngComm, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  544. Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  545. Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  546. Diethylaminophenyl-based Schiff base Cu(ii) and V(iv) complexes: experimental and theoretical studies and cytotoxicity assays

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  547. A New phenoxido/trifluoroacetato bridged heterometallic NiII2CuII derivative: Structure, EPR interpretation and DFT computation

    Article • Journal of Molecular Structure, January 2019, Elsevier

    Dr Antonio Frontera

  548. Correction: 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Dr Antonio Frontera

  549. DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

    Article • Chemical Physics, January 2019, Elsevier

    Dr Antonio Frontera

  550. Seven and eight-coordinate Fe(III) complexes containing pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: Solvent effects, supramolecular interactions and DFT calculations

    Article • Inorganica Chimica Acta, January 2019, Elsevier

    Dr Antonio Frontera

  551. Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies

    Article • Inorganica Chimica Acta, January 2019, Elsevier

    Dr Antonio Frontera, Swah Islam

  552. Tetranuclear MnII /ZnII and Novel Azido-Bridged Chair-Shaped Heptanuclear CdII Compounds: The Effect of Metal Ion and Coordination Mode of the Azide Group on the Structure of the Products

    Article • European Journal of Inorganic Chemistry, December 2018, Wiley

    Dr Antonio Frontera

  553. Primary Anion−π Catalysis and Autocatalysis

    Article • Journal of the American Chemical Society, December 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  554. Werner Type Clathrates Involving Guest Benzoic Acid and Benzoate in Discrete Mn(II) Hosts: Experimental and Theoretical Studies

    Article • Polyhedron, December 2018, Elsevier

    Dr Antonio Frontera

  555. A Ni(II) derivative incorporating tetradentate Schiff base precursor: Structure, spectral, electrochemical and DFT interpretation

    Article • Journal of Molecular Structure, December 2018, Elsevier

    Dr Antonio Frontera

  556. S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules

    Article • Chemistry - A European Journal, October 2018, Wiley

    Dr Antonio Frontera

  557. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4−: a synthetic, structural and computational investigation

    Article • Acta Crystallographica Section C Structural Chemistry, October 2018, International Union of Crystallography

    masoud mirzaei, Dr Antonio Frontera

  558. Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications

    Article • ACS Omega, October 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  559. Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences

    Article • Crystal Growth & Design, October 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  560. Synthesis, structures, and investigation of noncovalent interactions of 1,3-dimethyl-5-(4ʹ/3ʹ-pyridylazo)-6-aminouracil and their Ni(II) complexes

    Article • Journal of Molecular Structure, October 2018, Elsevier

    Dr Antonio Frontera

  561. Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalene-based Schiff base: Examples of stronger chelate–chelate interactions than those reported for classical π–π complexes

    Article • Polyhedron, October 2018, Elsevier

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  562. Nickel(II) based homo- vs heterometallic 1D coordination polymers derived from a novel 6-aminouracil building block: Structures, topologies, non-covalent interactions, magnetism, and antibacterial activity

    Article • Inorganica Chimica Acta, October 2018, Elsevier

    Dr Antonio Frontera

  563. A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect

    Article • Journal of the American Chemical Society, September 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  564. Frontispiece: Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles

    Article • Chemistry - A European Journal, September 2018, Wiley

    Dr Antonio Frontera

  565. Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones

    Article • ChemPlusChem, September 2018, Wiley

    Dr Antonio Frontera

  566. Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles

    Article • Chemistry - A European Journal, August 2018, Wiley

    Dr Antonio Frontera

  567. Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

    Article • ACS Omega, August 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  568. Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study

    Article • Molecules, July 2018, MDPI AG

    Dr Antonio Frontera

  569. Synthesis of Multinuclear Zn(II) Complexes Involving 8‐Aminoquinoline‐ Based Schiff‐Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations.

    Article • ChemistrySelect, July 2018, Wiley

    Dr Antonio Frontera

  570. Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study

    Article • Journal of Molecular Structure, July 2018, Elsevier

    Dr ARIJIT DAS, Dr Antonio Frontera

  571. Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study

    Article • Inorganics, June 2018, MDPI AG

    Dr Antonio Frontera

  572. A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π–π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates

    Article • Acta Crystallographica Section C Structural Chemistry, June 2018, International Union of Crystallography

    Shahid Hameed, Dr Antonio Frontera

  573. Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads

    Article • Angewandte Chemie, May 2018, Wiley

    Dr Antonio Frontera

  574. Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties

    Article • Magnetochemistry, May 2018, MDPI AG

    Dr Antonio Frontera

  575. Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study

    Article • Polyhedron, May 2018, Elsevier

    Dr Antonio Frontera

  576. Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals

    Article • Inorganica Chimica Acta, May 2018, Elsevier

    Dr Antonio Frontera

  577. Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces

    Article • Chemistry - A European Journal, April 2018, Wiley

    Dr Antonio Frontera

  578. Synergistic Anion–(π)n–π Catalysis on π-Stacked Foldamers

    Article • Journal of the American Chemical Society, April 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  579. Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis

    Article • The Journal of Physical Chemistry C, March 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  580. Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study

    Article • Molecules, March 2018, MDPI AG

    Dr Antonio Frontera

  581. Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex

    Article • Crystal Growth & Design, March 2018, American Chemical Society (ACS)

    Dr Antonio Frontera

  582. Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity

    Article • Polyhedron, March 2018, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  583. Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions

    Article • Polymers, February 2018, MDPI AG

    Dr Antonio Frontera

  584. Synthesis, Substitution, and Oxidation of Imidazole-2-thione Based Tricyclic 1,4-Dihydro-1,4-diphosphinines

    Article • European Journal of Inorganic Chemistry, February 2018, Wiley

    Dr Antonio Frontera

  585. Valence-Tautomerism-Driven Aromatic Nucleophilic Substitution in Cobalt-Bound Tetrabromocatecholate Ligands - Influence of Positive Charge at the Ligand Backbone on Phenoxazinone Synthase Activity

    Article • European Journal of Inorganic Chemistry, February 2018, Wiley

    Dr Antonio Frontera

  586. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  587. Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  588. Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  589. Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  590. A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  591. A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  592. Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  593. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  594. Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Ezequiel M Vázquez-López

  595. Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  596. H-Bonded anion–anion complex trapped in a squaramido-based receptor

    Article • Chemical Communications, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  597. Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  598. Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  599. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  600. Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study

    Article • Catalysis Science & Technology, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Anton Vidal-Ferran

  601. On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  602. One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities

    Article • RSC Advances, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  603. Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  604. Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  605. Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  606. Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  607. Screening polymorphism in a Ni(ii) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  608. Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  609. Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  610. Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  611. A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  612. σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  613. A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  614. CHAPTER 9. Quantitative Analysis of Weak Non-covalent σ-Hole and π-Hole Interactions

    Article • January 2018, Royal Society of Chemistry

    Dr Antonio Frontera

  615. Anion-reliant structural versatility of novel cadmium(II) complexes: Synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand

    Article • Inorganica Chimica Acta, January 2018, Elsevier

    Dr Antonio Frontera

  616. Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study

    Article • Molecules, December 2017, MDPI AG

    Dr Antonio Frontera

  617. A Combined Experimental and Theoretical Study to Explore the Importance of σ-Hole Carbon Bonding Interactions in Stabilizing Molecular Assemblies

    Article • ChemistrySelect, November 2017, Wiley

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  618. Theoretical investigation on molecular structure of a new mononuclear copper(II) thiocyanato complex with tridentate Schiff base ligand

    Article • Journal of Coordination Chemistry, November 2017, Taylor & Francis

    Dr Antonio Frontera

  619. A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study

    Article • Polyhedron, November 2017, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  620. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study

    Article • Journal of Inorganic Biochemistry, November 2017, Elsevier

    Dr Antonio Frontera

  621. Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4 S2 Coordination Spheres

    Article • European Journal of Inorganic Chemistry, October 2017, Wiley

    Dr Antonio Frontera, Vladimir Stilinovic

  622. A Combined Experimental and Theoretical Study on the Formation of a Cyclic Tetrameric Water Cluster and a Similar Type of Cyclic Cluster in Copper(II) Schiff Base Complexes

    Article • ChemistrySelect, October 2017, Wiley

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  623. Estimation of non-covalent C H⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly

    Article • Inorganica Chimica Acta, October 2017, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  624. Anion−π Catalysis on Fullerenes

    Article • Journal of the American Chemical Society, September 2017, American Chemical Society (ACS)

    Dr Antonio Frontera

  625. Suitable Interplay between Various Conventional and Unconventional Non-Covalent Interactions in Forming Self-Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes

    Article • ChemistrySelect, September 2017, Wiley

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  626. Supramolecular coordination polymers of La(III), Ce(III), Sm(III), Gd(III) and Eu(III) decorated with rigid 5-hydroxy-1,3-benzenedicarboxylate and flexible hexane-1,6-dicarboxylate linkers: Syntheses, structures, DFT study, luminescence and magnetic pr...

    Article • Polyhedron, September 2017, Elsevier

    Dr Antonio Frontera

  627. The roles of H-bonding, π-stacking, and antiparallel CO ⋯ CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid

    Article • Inorganic Chemistry Communications, September 2017, Elsevier

    Dr Antonio Frontera

  628. Back Cover: On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study (ChemPhysChem 16/2017)

    Article • ChemPhysChem, August 2017, Wiley

    Dr Antonio Frontera

  629. Synthesis and structure of 1,3-dimethyl-5-( p -sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions

    Article • Journal of Molecular Structure, August 2017, Elsevier

    Dr Antonio Frontera

  630. Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2 O2  Cores: NBO Analysis and MEP Calculation to Estimate Non-Covalent Interactions

    Article • ChemistrySelect, July 2017, Wiley

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  631. Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C-H⋅⋅⋅π(SCN) Interactions and Catechol Oxidase Activity

    Article • ChemistrySelect, July 2017, Wiley

    Dr Antonio Frontera

  632. Importance of R–CF3···O Tetrel Bonding Interactions in Biological Systems

    Article • The Journal of Physical Chemistry A, July 2017, American Chemical Society (ACS)

    Dr Antonio Frontera

  633. Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+to Al3+

    Article • ChemistrySelect, July 2017, Wiley

    Dr Antonio Frontera

  634. Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis

    Article • Journal of Molecular Structure, July 2017, Elsevier

    Dr Antonio Frontera

  635. Molecular electrostatic potential and “atoms-in-molecules” analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions

    Article • Journal of Computational Chemistry, June 2017, Wiley

    Dr Antonio Frontera

  636. On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study

    Article • ChemPhysChem, June 2017, Wiley

    Dr Antonio Frontera

  637. On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study

    Article • Crystals, June 2017, MDPI AG

    Dr Antonio Frontera

  638. The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC Pair by the Crystal Sponge Method

    Article • Crystal Growth & Design, June 2017, American Chemical Society (ACS)

    Dr Antonio Frontera

  639. Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication

    Article • Angewandte Chemie, June 2017, Wiley

    Dr Antonio Frontera

  640. Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study

    Article • Phase Transitions, May 2017, Taylor & Francis

    Dr Antonio Frontera

  641. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene

    Article • Angewandte Chemie, May 2017, Wiley

    Dr Antonio Frontera

  642. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene

    Article • Angewandte Chemie, May 2017, Wiley

    Dr Antonio Frontera

  643. Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminoterephthalate

    Article • Inorganica Chimica Acta, May 2017, Elsevier

    Dr Antonio Frontera

  644. Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality

    Article • Inorganica Chimica Acta, May 2017, Elsevier

    Dr Antonio Frontera

  645. Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes

    Article • ChemistrySelect, April 2017, Wiley

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  646. On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications

    Article • Chemistry - A European Journal, March 2017, Wiley

    Dr Antonio Frontera

  647. Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study

    Article • Theoretical Chemistry Accounts, March 2017, Springer Science + Business Media

    Dr Antonio Frontera

  648. Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand

    Article • Polyhedron, March 2017, Elsevier

    Dr Antonio Frontera

  649. Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity

    Article • ChemistrySelect, February 2017, Wiley

    Dr Antonio Frontera

  650. NO3− anions can act as Lewis acid in the solid state

    Article • Nature Communications, February 2017, Springer Science + Business Media

    Dr Antonio Frontera

  651. Design of end-on cyanato bridged trinuclear Cu(II) Schiff base complex with salen type Schiff base ligand: synthesis, structural investigation and DFT study

    Article • Journal of Coordination Chemistry, February 2017, Taylor & Francis

    Dr Antonio Frontera

  652. Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity

    Article • Inorganic Chemistry, February 2017, American Chemical Society (ACS)

    Dr Antonio Frontera

  653. Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N4 donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells

    Article • Polyhedron, February 2017, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  654. Fluorescent sensing of Al 3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism

    Article • Sensors and Actuators B Chemical, February 2017, Elsevier

    Dr Antonio Frontera

  655. New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response

    Article • Journal of Photochemistry and Photobiology A Chemistry, February 2017, Elsevier

    Dr Antonio Frontera

  656. X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-AgI -C* (C*:N1 -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions

    Article • Chemistry - A European Journal, January 2017, Wiley

    Dr Antonio Frontera

  657. Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions

    Article • Journal of Coordination Chemistry, January 2017, Taylor & Francis

    Dr Antonio Frontera

  658. Exploration of photocatalytic activity of an end-on azide bridged one-dimensional cadmium(II) Schiff base complex for the degradation of organic dye in visible light

    Article • Polyhedron, January 2017, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  659. Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera, Dr. Riccardo Montis

  660. Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Rosa Carballo, Dr Antonio Frontera, Dr Waldemar Maniukiewicz

  661. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex

    Article • Journal of Molecular Structure, January 2017, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  662. Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(ii) Schiff base complexes

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  663. A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  664. A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  665. A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  666. A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  667. A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+in water

    Article • RSC Advances, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  668. A survey of the different roles of polyoxometalates in their interaction with amino acids, peptides and proteins

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  669. A trigonal prismatic anionic iron(iii) complex of a radical o-iminobenzosemiquinonate derivative: structural and spectral analyses

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  670. Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions – a novel dichotomy in phosphorus chemistry

    Article • Chemical Communications, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  671. Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles

    Article • Chemical Communications, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  672. Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Waldemar Maniukiewicz

  673. Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  674. Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  675. Donor–acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+(X = H, Me, CN, NCS, OH, Cl, OTf, F)

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  676. Estimation of conventional C–H⋯π (arene), unconventional C–H⋯π (chelate) and C–H⋯π (thiocyanate) interactions in hetero-nuclear nickel(ii)–cadmium(ii) complexes with a compartmental Schiff base

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  677. Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(iv) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  678. Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  679. Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  680. Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordination of a Zn–porphyrin cage with a bis-pyridyl perylene derivative

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  681. Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  682. The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  683. The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(i) with cytidine-5′-monophosphate

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  684. Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  685. Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  686. π–hole interactions at work: crystal engineering with nitro-derivatives

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  687. Correction: Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  688. Outstanding Reviewers for New Journal of Chemistry in 2016

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Antonio Frontera

  689. Solvent dependent nuclearity of manganese complexes with a polydentate hydrazone-based ligand and thiocyanate anions

    Article • Inorganica Chimica Acta, January 2017, Elsevier

    Dr Antonio Frontera

  690. EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor

    Article • JBIC Journal of Biological Inorganic Chemistry, December 2016, Springer Science + Business Media

    Professor Chen-Hsiung Hung, Dr Antonio Frontera

  691. Ligand-Flexibility Controlled and Solvent-Induced Nuclearity Conversion in CuII-Based Catecholase Models: A Deep Insight Through Combined Experimental and Theoretical Investigations

    Article • European Journal of Inorganic Chemistry, December 2016, Wiley

    Dr Antonio Frontera

  692. Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study

    Article • Chemical Physics Letters, December 2016, Elsevier

    Dr Antonio Frontera

  693. Synthesis and Investigation of Solid- and Solution-State Structures of Nickel(II) Complexes with 1,3-Dimethyl-5-(arylazo)-6-aminouracil

    Article • European Journal of Inorganic Chemistry, November 2016, Wiley

    Dr Antonio Frontera

  694. A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se

    Article • Inorganica Chimica Acta, November 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  695. Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study

    Article • Polyhedron, November 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  696. Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties

    Article • The Journal of Physical Chemistry C, October 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  697. Cover Picture: On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study (ChemPhysChem 20/2016)

    Article • ChemPhysChem, October 2016, Wiley

    Dr Antonio Frontera

  698. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study

    Article • ChemPhysChem, October 2016, Wiley

    Dr Antonio Frontera

  699. On the importance of antiparallel C O⋯C–F interactions in N1-(3-hydroxypropyl)-5-fluorouracilate–Hg(II) complex: A combined X-ray and DFT study

    Article • Inorganica Chimica Acta, October 2016, Elsevier

    Dr Antonio Frontera

  700. Halide Ion Mediated Aldehyde-Amine Condensation Leading to Schiff-base and Cyclized Non-Schiff-base Ligand Complexes of CdII: A Combined Experimental and Theoretical Investigation

    Article • ChemistrySelect, September 2016, Wiley

    Dr Antonio Frontera

  701. Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide

    Article • Inorganica Chimica Acta, September 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  702. Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism

    Article • Inorganic Chemistry, August 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  703. π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters

    Article • Crystal Growth & Design, August 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  704. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study

    Article • ChemPhysChem, August 2016, Wiley

    Dr Antonio Frontera

  705. Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization

    Article • Inorganic Chemistry, August 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  706. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases

    Article • Inorganica Chimica Acta, August 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  707. Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N -oxide complex with unusual coordination mode

    Article • Inorganica Chimica Acta, August 2016, Elsevier

    Dr Antonio Frontera

  708. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms

    Article • Polyhedron, July 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  709. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies

    Article • Inorganica Chimica Acta, July 2016, Elsevier

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  710. Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions

    Article • Polyhedron, July 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  711. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer

    Article • The Journal of Physical Chemistry, June 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  712. Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity

    Article • Chemistry - A European Journal, June 2016, Wiley

    Anton Vidal-Ferran, Dr Antonio Frontera

  713. Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations

    Article • Environmental Science & Technology, June 2016, American Chemical Society (ACS)

    Dr Antonio Frontera

  714. Coordination Behavior of Chelidamic Acid With VV, NiII, FeIII, and CaII: Syntheses, X-ray Characterization and DFT Studies

    Article • ChemistrySelect, June 2016, Wiley

    Dr Antonio Frontera

  715. Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2cores

    Article • Journal of Coordination Chemistry, April 2016, Taylor & Francis

    Dr Antonio Frontera

  716. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors

    Article • ChemPhysChem, March 2016, Wiley

    Dr Antonio Frontera

  717. RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?

    Article • Crystals, March 2016, MDPI AG

    Dr Antonio Frontera

  718. Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands

    Article • Inorganica Chimica Acta, March 2016, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  719. Copper(II) pseudohalide complexes with isomeric N2O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA

    Article • ChemistrySelect, March 2016, Wiley

    Dr Antonio Frontera

  720. Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II)

    Article • ChemistrySelect, March 2016, Wiley

    Dr Antonio Frontera

  721. Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations

    Article • Inorganica Chimica Acta, March 2016, Elsevier

    Dr Antonio Frontera

  722. Tuning the topology of hybrid inorganic–organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective

    Article • Coordination Chemistry Reviews, February 2016, Elsevier

    Dr Antonio Frontera

  723. Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase

    Article • Journal of Molecular Catalysis A Chemical, February 2016, Elsevier

    Dr Antonio Frontera

  724. Tetrel Bonding Interactions

    Article • The Chemical Record, January 2016, Wiley

    Dr Antonio Frontera

  725. A thorough anion–π interaction study in biomolecules: on the importance of cooperativity effects

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  726. Towards design strategies for anion–π interactions in crystal engineering

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Tiddo Jonathan Mooibroek, Dr Antonio Frontera

  727. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Ghodrat mahmoudi, Dr Antonio Frontera

  728. 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  729. Zn(II) and Cd(II) complexes with isonicotinoylhydrazone ligand

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Waldemar Maniukiewicz, Santiago Garcia-Granda, Dr Antonio Frontera, Professor Rory Waterman

  730. Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Waldemar Maniukiewicz, Dr Antonio Frontera

  731. A novel method for copper(ii) mediated region-selective bromination of aromatic rings under mild conditions

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  732. A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)–cadmium(ii) complexes with N2O4-donor compartmental Schiff bases

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  733. A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Professor Chen-Hsiung Hung, Dr Antonio Frontera

  734. Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera, Carmen Rotger

  735. Catecholase activity, DNA binding and cytotoxicity studies of a Cu(ii) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  736. Cationic 5-phosphonio-substituted N-heterocyclic carbenes

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  737. Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  738. Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  739. Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)–Ni(ii) complex and experimental evidence for preferential site selection of the lig...

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  740. Exploring the coordinative adaptation and molecular shapes of trinuclear CuII2MII (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  741. Inorganic–organic hybrid materials based on PbBr2and pyridine–hydrazone blocks – structural and theoretical study

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera, Vladimir Stilinovic

  742. Metal–organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera, Vladimir Stilinovic

  743. On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  744. Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  745. Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes derived from 3,5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects

    Article • Inorganica Chimica Acta, January 2016, Elsevier

    Dr Antonio Frontera

  746. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  747. Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in CFC chemistry

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  748. The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Waldemar Maniukiewicz, Dr Antonio Frontera

  749. CHAPTER 3. Anion–π Interactions: Theoretical Studies, Supramolecular Chemistry and Catalysis

    Article • January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  750. Carboxylate Coordination Assisted Aggregation for Quasi-Tetrahedral and Partial-Dicubane [Cu4] Coordination Clusters

    Article • ChemistrySelect, January 2016, Wiley

    Dr Antonio Frontera

  751. Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Dr Antonio Frontera

  752. An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand

    Article • Polyhedron, December 2015, Elsevier

    Dr Antonio Frontera

  753. New chloride-dimethylsulfoxide-iridium(III) complex with histaminium

    Article • Polyhedron, December 2015, Elsevier

    Dr Antonio Frontera

  754. Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand

    Article • Inorganica Chimica Acta, November 2015, Elsevier

    Dr Antonio Frontera

  755. Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study

    Article • Polyhedron, November 2015, Elsevier

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  756. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights

    Article • Inorganica Chimica Acta, November 2015, Elsevier

    Dr Antonio Frontera

  757. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding

    Article • Chemistry - A European Journal, October 2015, Wiley

    Dr Antonio Frontera, Vladimir Stilinovic

  758. Theoretical Study on the Dual Behavior of XeO3and XeF4toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions

    Article • ChemPhysChem, October 2015, Wiley

    Dr Antonio Frontera

  759. Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions

    Article • ChemPhysChem, October 2015, Wiley

    Dr Antonio Frontera

  760. The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies

    Article • Journal of Coordination Chemistry, September 2015, Taylor & Francis

    Dr Antonio Frontera

  761. Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects

    Article • ChemPhysChem, August 2015, Wiley

    Dr Antonio Frontera

  762. Supramolecular interactions through lone pair(lp)–π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study

    Article • Inorganica Chimica Acta, August 2015, Elsevier

    Dr Antonio Frontera

  763. Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic study

    Article • Chemical Physics Letters, July 2015, Elsevier

    Dr Antonio Frontera

  764. Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations

    Article • Tetrahedron, July 2015, Elsevier

    Anton Vidal-Ferran, Dr Antonio Frontera

  765. Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations

    Article • Chemistry - A European Journal, June 2015, Wiley

    Anton Vidal-Ferran, Dr Antonio Frontera

  766. The Bright Future of Unconventional σ/π-Hole Interactions

    Article • ChemPhysChem, June 2015, Wiley

    Dr Antonio Frontera

  767. Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis

    Article • ChemPhysChem, June 2015, Wiley

    Dr Antonio Frontera

  768. On the Importance of CH/π and CH⋅⋅⋅HC Interactions in the Solid State Structure of 15-Lipoxygenase Inhibitors Based on Eugenol Derivatives

    Article • ChemPhysChem, May 2015, Wiley

    Dr Antonio Frontera

  769. Aerogen Bonding Interaction: A New Supramolecular Force?

    Article • Angewandte Chemie, May 2015, Wiley

    Dr Antonio Frontera

  770. A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges

    Article • Inorganic Chemistry, May 2015, American Chemical Society (ACS)

    Dr Antonio Frontera

  771. Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution

    Article • International Journal of Molecular Sciences, April 2015, MDPI AG

    Dr Antonio Frontera

  772. Hydrogen Bond, π-π, and CH-π Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their MnIIComplexes - Structural and Theoretical Interpretation

    Article • European Journal of Inorganic Chemistry, March 2015, Wiley

    Dr Antonio Frontera

  773. Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII = Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study

    Article • Crystal Growth & Design, February 2015, American Chemical Society (ACS)

    Dr Antonio Frontera

  774. A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline

    Article • Inorganica Chimica Acta, February 2015, Elsevier

    Dr Antonio Frontera

  775. Directionality of π-holes in nitro compounds

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Dr Tiddo Jonathan Mooibroek, Dr Antonio Frontera

  776. Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  777. Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  778. Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  779. Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  780. From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide–tetradentate Schiff base complexes

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Ghodrat mahmoudi, Vladimir Stilinovic

  781. Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)2− based one-dimensional linear coordination polymer

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    masoud mirzaei, Dr Antonio Frontera

  782. π-hole interaction involving nitro groups

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Dr SUBRATA DAS

  783. The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  784. Correction: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  785. Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii)

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  786. Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  787. Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  788. Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on–off ratio

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  789. Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  790. A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Carmen Rotger

  791. Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii) Schiff base complexes: a combined experimental and computational study

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Shouvik Chattopadhyay

  792. π-Hole aerogen bonding interactions

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  793. On the nature of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Antonio Frontera

  794. Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through a proton transfer mechanism

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    masoud mirzaei, Dr Antonio Frontera

  795. Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based “end-off” compartmental ligand

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Dr Daniel Escudero, Dr Antonio Frontera

  796. Anion-π Interactions in Supramolecular Chemistry and Catalysis

    Article • January 2015, Springer Science + Business Media

    Dr Antonio Frontera

  797. Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes

    Article • Inorganica Chimica Acta, January 2015, Elsevier

    Dr Antonio Frontera

  798. Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters

    Article • Journal of Molecular Structure, January 2015, Elsevier

    Dr Antonio Frontera

  799. Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network

    Article • Journal of Molecular Structure, January 2015, Elsevier

    Dr Antonio Frontera

  800. Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)

    Article • Organometallics, December 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  801. Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)

    Article • Crystal Growth & Design, December 2014, American Chemical Society (ACS)

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  802. 3-Picoline Mediated Self-Assembly of M(II)–Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone Pair−π, π–π, and Anion···π–Hole Interactions

    Article • The Journal of Physical Chemistry, December 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  803. A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer

    Article • Journal of Solid State Chemistry, December 2014, Elsevier

    Dr Antonio Frontera

  804. Experimental and Computational Study of Counterintuitive ClO4–···ClO4– Interactions and the Interplay between π+–π and Anion···π+ Interactions

    Article • Crystal Growth & Design, October 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  805. A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study

    Article • Polyhedron, October 2014, Elsevier

    Dr Antonio Frontera

  806. Non-covalent sp3carbon bonding with ArCF3is analogous to CH–π interactions

    Article • Chemical Communications, September 2014, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  807. Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives

    Article • Tetrahedron, September 2014, Elsevier

    Dr Antonio Frontera

  808. Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations

    Article • Inorganica Chimica Acta, September 2014, Elsevier

    Dr Antonio Frontera, Professor Sanjit Dey

  809. Recent developments in the crystal engineering of diverse coordination modes (0–12) for Keggin-type polyoxometalates in hybrid inorganic–organic architectures

    Article • Coordination Chemistry Reviews, September 2014, Elsevier

    Dr Antonio Frontera

  810. Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State

    Article • Inorganic Chemistry, July 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  811. Small Cycloalkane (CN)2CC(CN)2Structures Are Highly Directional Non-covalent Carbon-Bond Donors

    Article • Chemistry - A European Journal, July 2014, Wiley

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  812. Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes

    Article • Crystal Growth & Design, July 2014, American Chemical Society (ACS)

    Dr Antonio Frontera, Professor Marcel Swart

  813. Copper‐Assisted Hemiacetal Synthesis: A Cu II Chain Obtained by a One‐Step in situ Reaction of Picolinaldehyde

    Article • European Journal of Inorganic Chemistry, June 2014, Wiley

    Dr Antonio Frontera, Professor Carlos J. Gómez-García

  814. Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives

    Article • Computational and Theoretical Chemistry, June 2014, Elsevier

    Dr Antonio Frontera

  815. Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes

    Article • Polyhedron, June 2014, Elsevier

    Dr Antonio Frontera

  816. Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold

    Article • The Journal of Organic Chemistry, May 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  817. Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives

    Article • Crystal Growth & Design, April 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  818. Long-Range Effects in Anion-π Interactions: Their Crucial Role in the Inhibition Mechanism ofMycobacterium TuberculosisMalate Synthase

    Article • Chemistry - A European Journal, April 2014, Wiley

    Dr Antonio Frontera

  819. A Combined Theoretical and Cambridge Structural Database Study of π-Hole Pnicogen Bonding Complexes between Electron Rich Molecules and Both Nitro Compounds and Inorganic Bromides (YO2Br, Y = N, P, and As)

    Article • The Journal of Physical Chemistry A, April 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  820. Electronic Structure of N2P2Four-Membered Rings

    Article • ChemPhysChem, March 2014, Wiley

    Dr Antonio Frontera, Dr Daniel Escudero

  821. On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in N2P2 rings

    Article • Chemical Physics Letters, March 2014, Elsevier

    Dr Antonio Frontera

  822. Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)

    Article • Inorganic Chemistry Communications, March 2014, Elsevier

    Dr Antonio Frontera

  823. Molecular Recognition of Nucleotides in Water by Scorpiand-Type Receptors Based on Nucleobase Discrimination

    Article • Chemistry - A European Journal, February 2014, Wiley

    Dr Antonio Frontera

  824. Thermodynamic Characterization of Halide−π Interactions in Solution Using “Two-Wall” Aryl Extended Calix[4]pyrroles as Model System

    Article • Journal of the American Chemical Society, February 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  825. pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study

    Article • Crystal Growth & Design, January 2014, American Chemical Society (ACS)

    Dr Antonio Frontera

  826. Syntheses, structures, properties and DFT study of hybrid inorganic–organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, masoud mirzaei

  827. Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  828. A dodecanuclear copper(ii) cage self-assembled from six dicopper building units

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, RODOLPHE CLERAC

  829. Relevant and unprecedented C–H/σ supramolecular interactions involving σ-aromatic M2X2cores

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  830. Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-MIII (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  831. Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  832. The influence of H-bonding on the ‘ambidentate’ coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  833. An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  834. Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, masoud mirzaei

  835. Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, masoud mirzaei

  836. On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, masoud mirzaei

  837. Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  838. Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Dr Antonio Frontera

  839. A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr Shouvik Chattopadhyay, Dr Antonio Frontera

  840. A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand

    Article • Inorganic Chemistry, November 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  841. Cover Picture: On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase (Chem. Asian J. 11/2013)

    Article • Chemistry - An Asian Journal, October 2013, Wiley

    Dr Antonio Frontera

  842. On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors

    Article • Journal of Chemical Theory and Computation, October 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  843. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?

    Article • Angewandte Chemie, October 2013, Wiley

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  844. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?

    Article • Angewandte Chemie, October 2013, Wiley

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek

  845. Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: On the importance of anion–π interactions

    Article • Coordination Chemistry Reviews, October 2013, Elsevier

    Dr Antonio Frontera

  846. Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions

    Article • Tetrahedron Letters, September 2013, Elsevier

    Dr Antonio Frontera

  847. On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase

    Article • Chemistry - An Asian Journal, July 2013, Wiley

    Dr Antonio Frontera

  848. M II –Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study

    Article • European Journal of Inorganic Chemistry, July 2013, Wiley

    Dr Antonio Frontera

  849. On the Importance of Unprecedented Lone Pair–Salt Bridge Interactions in Cu(II)–Malonate–2-Amino-5-Chloropyridine–Perchlorate Ternary System

    Article • The Journal of Physical Chemistry A, July 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  850. Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations

    Article • Inorganic Chemistry, June 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  851. Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion–π interactions

    Article • Coordination Chemistry Reviews, June 2013, Elsevier

    Dr Antonio Frontera

  852. Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core

    Article • Polyhedron, April 2013, Elsevier

    Dr Antonio Frontera

  853. Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes

    Article • Chemical Physics Letters, April 2013, Elsevier

    Dr Antonio Frontera

  854. Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent Interactions Involving Anions?

    Article • The Journal of Physical Chemistry A, March 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  855. Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine ligand: Structural analysis and theoretical study

    Article • Polyhedron, March 2013, Elsevier

    Dr Antonio Frontera

  856. Different Nature of the Interactions between Anions and HAT(CN)6: From Reversible Anion−π Complexes to Irreversible Electron-Transfer Processes (HAT(CN)6 = 1,4,5,8,9,12-Hexaazatriphenylene)

    Article • Journal of the American Chemical Society, February 2013, American Chemical Society (ACS)

    Dr Antonio Frontera

  857. Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(i) salts and flexible bis- and tris-pyrimidine ligands

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  858. Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine)

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  859. Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH⋯F bonds

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera, Eduard Rusanov

  860. Anion–π interactions in [S4N3]+ rings

    Article • New Journal of Chemistry, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  861. Reversible switching of the electronic ground state in a pentacoordinated Cu(ii) complex

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Ray J Butcher, Professor Carlos J. Gómez-García

  862. Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(iii) complex

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  863. Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Patrick Gamez

  864. Halogen bonding versuschalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  865. Salt-bridge–π (sb–π) interactions at work: associative interactions of sb–π, π–π and anion–π in Cu(ii)-malonate–2-aminopyridine–hexafluoridophosphate ternary system

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  866. Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Antonio Frontera

  867. Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a “Metalloligand” [CuL] (H2L =N,N′-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in ...

    Article • Inorganic Chemistry, November 2012, American Chemical Society (ACS)

    Dr Antonio Frontera

  868. Anion-π Interactions Involving [MXn]m−Anions: A Comprehensive Theoretical Study

    Article • ChemPhysChem, October 2012, Wiley

    Dr Antonio Frontera

  869. Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones

    Article • Computational and Theoretical Chemistry, October 2012, Elsevier

    Dr Antonio Frontera

  870. Interplay between ion–π and Ar/π Van der Waals interactions

    Article • Computational and Theoretical Chemistry, October 2012, Elsevier

    Dr Antonio Frontera

  871. Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

    Article • The Journal of Physical Chemistry C, September 2012, American Chemical Society (ACS)

    Dr Antonio Frontera

  872. Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion−π–Anion and Nonclassical C–H···Anion Interactions

    Article • Inorganic Chemistry, September 2012, American Chemical Society (ACS)

    Dr Antonio Frontera, Sally Brooker

  873. Complexes of Zinc(II) with N ‐Imidazolyl‐ and N ‐Pyrazolylpyrimidine Donor Ligands: Synthesis, Crystal Structures, and Theoretical Study

    Article • European Journal of Inorganic Chemistry, July 2012, Wiley

    Dr Antonio Frontera

  874. A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluorescence switch-on signaling for the selective targeting of cyanide

    Article • Journal of Inclusion Phenomena and Macrocyclic Chemistry, June 2012, Springer Science + Business Media

    Dr Antonio Frontera

  875. Estimating ring strain energies in small carbocycles by means of the Bader’s theory of ‘atoms-in-molecules’

    Article • Chemical Physics Letters, May 2012, Elsevier

    Dr Antonio Frontera

  876. Tuning of the anion–π interaction

    Article • Theoretical Chemistry Accounts, April 2012, Springer Science + Business Media

    Dr Antonio Frontera

  877. Theoretical ab initio study of anion–π interactions in inorganic rings

    Article • Chemical Physics Letters, March 2012, Elsevier

    Dr Antonio Frontera

  878. Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives

    Article • Tetrahedron, March 2012, Elsevier

    Dr Antonio Frontera

  879. Anion Induced Formation of Supramolecular Associations Involving Lone pair−π and Anion−π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies

    Article • Inorganic Chemistry, February 2012, American Chemical Society (ACS)

    Dr Antonio Frontera

  880. ChemInform Abstract: Putting Anion-π Interactions into Perspective

    Article • ChemInform, January 2012, Wiley

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek, Professor Patrick Gamez, Professor Jan Reedijk

  881. Host–Guest Supramolecular Interactions in the Coordination Compounds of 4,4′-Azobis(pyridine) with MnX2 (X = NCS–, NCNCN–, and PF6–): Structural Analyses and Theoretical Study

    Article • Inorganic Chemistry, January 2012, American Chemical Society (ACS)

    Dr Antonio Frontera

  882. Pnicogen–π complexes: theoretical study and biological implications

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Antonio Frontera

  883. Cis–trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Dr Antonio Frontera

  884. Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Dr Antonio Frontera

  885. Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Dr Antonio Frontera

  886. Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Patrick Gamez

  887. Anion–π Interactions in Molecular Recognition

    Article • November 2011, Wiley

    Dr Antonio Frontera

  888. Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions

    Article • Computational and Theoretical Chemistry, November 2011, Elsevier

    Dr Antonio Frontera

  889. ChemInform Abstract: Cation-π and Anion-π Interactions

    Article • ChemInform, October 2011, Wiley

    Dr Antonio Frontera

  890. Putting Anion-π Interactions Into Perspective

    Article • Angewandte Chemie, September 2011, Wiley

    Dr Antonio Frontera, Dr Tiddo Jonathan Mooibroek, Professor Patrick Gamez

  891. Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interactions

    Article • ChemPhysChem, August 2011, Wiley

    Dr Antonio Frontera

  892. RI-MP2 and MPWB1K Study of π–Anion−π′ Complexes: MPWB1K Performance and Some Additivity Aspects

    Article • Journal of Chemical Theory and Computation, August 2011, American Chemical Society (ACS)

    Dr Antonio Frontera

  893. Anionπ Interactions in Flavoproteins

    Article • Chemistry - An Asian Journal, June 2011, Wiley

    Dr Antonio Frontera

  894. Unexpected Nonadditivity Effects in Anion−π Complexes

    Article • The Journal of Physical Chemistry A, June 2011, American Chemical Society (ACS)

    Dr Antonio Frontera

  895. Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]

    Article • Crystal Growth & Design, June 2011, American Chemical Society (ACS)

    Dr Antonio Frontera

  896. A methodological analysis for the assessment of non-covalent π interactions

    Article • Chemical Physics Letters, May 2011, Elsevier

    Dr Antonio Frontera

  897. Synthesis and Crystal Structures of μ‐Oxido‐ and μ‐Hydroxido‐Bridged Dinuclear Iron(III) Complexes with an N 2 O Donor Ligand – A Theoretical Study on the Influence of Weak Forces on the Fe–O–Fe Bridging Angle

    Article • European Journal of Inorganic Chemistry, April 2011, Wiley

    Dr Antonio Frontera

  898. Cation-π and anion-π interactions

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, April 2011, Wiley

    Dr Antonio Frontera

  899. Can lone pair-π and cation-π interactions coexist? A theoretical study

    Article • Open Chemistry, February 2011, De Gruyter

    Dr Antonio Frontera

  900. RNAs' uracil quartet model with a non-essential metal ion

    Article • Chemical Communications, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  901. Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework

    Article • Chemical Communications, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera, Eduard Rusanov

  902. Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  903. Radical cation (C˙+–π) and radical anion (A˙−–π) interactions with aromatic rings: energetic, orbitalic and spin density considerations

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  904. On the directionality of anion–π interactions

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  905. Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn3O4}4+ core in aqueous acidic media

    Article • Dalton Transactions, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  906. A Highly Selective Fluorescence Turn-on Probe for Zn2+ Based on New Diaryloxadiazole Chelate

    Article • Chemistry Letters, January 2011, Chemical Society of Japan

    Dr Antonio Frontera

  907. Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry

    Article • New Journal of Chemistry, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera

  908. Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis

    Article • CrystEngComm, January 2011, Royal Society of Chemistry

    Dr Antonio Frontera, Professor Patrick Gamez

  909. Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation

    Article • Inorganica Chimica Acta, January 2011, Elsevier

    Dr Antonio Frontera

  910. The Role of the Ethynyl Substituent on the π-π Stacking Affinity of Benzene: A Theoretical Study

    Article • ChemPhysChem, December 2010, Wiley

    Dr Antonio Frontera

  911. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase

    Article • Angewandte Chemie, December 2010, Wiley

    Dr Antonio Frontera

  912. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase

    Article • Angewandte Chemie, December 2010, Wiley

    Dr Antonio Frontera

  913. New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N 6 ‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers (Eur. J. Inorg. Chem. 36/2010)

    Article • European Journal of Inorganic Chemistry, December 2010, Wiley

    Dr Antonio Frontera

  914. New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N 6 ‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers

    Article • European Journal of Inorganic Chemistry, November 2010, Wiley

    Dr Antonio Frontera

  915. Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study

    Article • Inorganica Chimica Acta, November 2010, Elsevier

    Dr Antonio Frontera

  916. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts (Eur. J. Org. Chem. 27/2010)

    Article • European Journal of Organic Chemistry, September 2010, Wiley

    Dr Antonio Frontera

  917. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts

    Article • European Journal of Organic Chemistry, July 2010, Wiley

    Dr Antonio Frontera

  918. New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling

    Article • Supramolecular Chemistry, June 2010, Taylor & Francis

    Dr Antonio Frontera

  919. Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory for evaluating the BSSE in ion–π complexes

    Article • Chemical Physics Letters, April 2010, Elsevier

    Dr Antonio Frontera

  920. Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions

    Article • The Journal of Physical Chemistry, March 2010, American Chemical Society (ACS)

    Dr Antonio Frontera, Professor Patrick Gamez

  921. Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions

    Article • Crystal Growth & Design, March 2010, American Chemical Society (ACS)

    Dr Antonio Frontera

  922. Cooperativity effects between non-covalent interactions: Are they important for Z-DNA stability?

    Article • Chemical Physics Letters, January 2010, Elsevier

    Dr Antonio Frontera, Dr Daniel Escudero

  923. A novel fluoride selective optical chemosensor based on internal charge transfer signaling

    Article • Tetrahedron Letters, January 2010, Elsevier

    Dr Antonio Frontera

  924. Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Dr Antonio Frontera

  925. Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Dr Antonio Frontera

  926. Substituent Effects in Ion−π Interactions: Fine-Tuning via the Ethynyl Group

    Article • The Journal of Physical Chemistry A, December 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  927. Cooperativity in multiple unusual weak bonds

    Article • Theoretical Chemistry Accounts, November 2009, Springer Science + Business Media

    Dr Antonio Frontera

  928. Very Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding Interactions

    Article • ChemPhysChem, September 2009, Wiley

    Dr Antonio Frontera, Dr Daniel Escudero

  929. Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive?

    Article • Chemical Physics Letters, September 2009, Elsevier

    Dr Antonio Frontera

  930. Counterintuitive Substituent Effect of the Ethynyl Group in Ion−π Interactions

    Article • The Journal of Physical Chemistry A, August 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  931. Thermodynamic Characterization of the Self-Assembly Process of a Three Component Heterobimetallic Bisporphyrin Macrocycle

    Article • The Journal of Physical Chemistry, August 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  932. Anion–π, Lone‐Pair–π, π–π and Hydrogen‐Bonding Interactions in a Cu II Complex of 2‐Picolinate and Protonated 4,4′‐Bipyridine: Crystal Structure and Theoretical Studies

    Article • European Journal of Inorganic Chemistry, May 2009, Wiley

    Dr Antonio Frontera

  933. Anion−π Interactions in Four-Membered Rings

    Article • Organic Letters, April 2009, American Chemical Society (ACS)

    Dr Antonio Frontera, Carmen Rotger

  934. Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study

    Article • Journal of Chemical Theory and Computation, March 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  935. Energetic vs Synergetic Stability: A Theoretical Study

    Article • The Journal of Physical Chemistry A, March 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  936. 2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study

    Article • Crystal Growth & Design, February 2009, American Chemical Society (ACS)

    Dr Antonio Frontera

  937. Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions

    Article • Theoretical Chemistry Accounts, February 2009, Springer Science + Business Media

    Dr Antonio Frontera, Dr Daniel Escudero

  938. Interplay between anion-π and hydrogen bonding interactions

    Article • Journal of Computational Chemistry, January 2009, Wiley

    Dr Antonio Frontera, Dr Daniel Escudero

  939. Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene

    Article • Chemical Physics Letters, January 2009, Elsevier

    Dr Antonio Frontera, Dr Daniel Escudero

  940. 1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions

    Article • Dalton Transactions, January 2009, Royal Society of Chemistry

    Dr Antonio Frontera, Eduard Rusanov

  941. Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinolizinylium Cation

    Article • Journal of Chemical Theory and Computation, October 2008, American Chemical Society (ACS)

    Dr Antonio Frontera

  942. Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

    Article • Chemical Physics Letters, July 2008, Elsevier

    Dr Antonio Frontera

  943. Molecular Interaction Potential with Polarization (MIPp) Study of the Interplay Between Ion-π and Hydrogen Bonding Interactions

    Article • The Open Chemical Physics Journal, June 2008, Bentham Science Publishers

    Dr Antonio Frontera

  944. Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions

    Article • The Journal of Physical Chemistry A, June 2008, American Chemical Society (ACS)

    Dr Antonio Frontera, Dr Daniel Escudero

  945. Coordination Complexes Exhibiting Anion···π Interactions: Synthesis, Structure, and Theoretical Studies

    Article • Inorganic Chemistry, May 2008, American Chemical Society (ACS)

    Dr Antonio Frontera, Professor Patrick Gamez

  946. Interplay between cation-π and hydrogen bonding interactions

    Article • Chemical Physics Letters, May 2008, Elsevier

    Dr Antonio Frontera, Dr Daniel Escudero

  947. Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions in a Squaramide–Nitrate Salt

    Article • European Journal of Organic Chemistry, April 2008, Wiley

    Dr Antonio Frontera, Carmen Rotger

  948. On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes

    Article • Chemical Physics Letters, April 2008, Elsevier

    Dr Antonio Frontera

  949. High-Level Ab Initio Study of Anion–π Interactions in Pyridine and Pyrazine Rings Coordinated to AgI

    Article • ChemPhysChem, February 2008, Wiley

    Dr Antonio Frontera

  950. MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions

    Article • Theoretical Chemistry Accounts, February 2008, Springer Science + Business Media

    Dr Antonio Frontera

  951. MP2 Study of the Dual σ/π−Anion-Binding Affinity of Fluorinated Phthallic Acid Anhydrides

    Article • The Journal of Physical Chemistry A, January 2008, American Chemical Society (ACS)

    Dr Antonio Frontera

  952. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts (Eur. J. Org. Chem. 35/2007)

    Article • European Journal of Organic Chemistry, December 2007, Wiley

    Dr Antonio Frontera

  953. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts

    Article • European Journal of Organic Chemistry, December 2007, Wiley

    Dr Antonio Frontera

  954. Anion−π Interactions in Bisadenine Derivatives:  A Combined Crystallographic and Theoretical Study

    Article • Inorganic Chemistry, November 2007, American Chemical Society (ACS)

    Dr Antonio Frontera

  955. Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes

    Article • Journal of Chemical Theory and Computation, October 2007, American Chemical Society (ACS)

    Dr Antonio Frontera

  956. A Theoretical Study of Anion–π Interactions in Seven-Membered Rings

    Article • ChemPhysChem, June 2007, Wiley

    Dr Antonio Frontera, Dr Daniel Escudero

  957. MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions

    Article • Chemical Physics Letters, April 2007, Elsevier

    Dr Antonio Frontera

  958. Dual Cation and Anion Acceptor Molecules. The Case of the (η6-C6H6)(η6C6F6)Cr(0) Complex

    Article • The Journal of Physical Chemistry A, March 2007, American Chemical Society (ACS)

    Dr Antonio Frontera

  959. MP2 study of cooperative effects between cation–π, anion–π and π–π interactions

    Article • New Journal of Chemistry, January 2007, Royal Society of Chemistry

    Dr Antonio Frontera

  960. Interplay Between Cation-π, Anion-π and π-π Interactions

    Article • ChemPhysChem, October 2006, Wiley

    Dr Antonio Frontera

  961. Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

    Article • The Journal of Organic Chemistry, August 2006, American Chemical Society (ACS)

    Dr Antonio Frontera

  962. MP2 Study of Cation−(π)n−π Interactions (n = 1−4)

    Article • The Journal of Physical Chemistry A, July 2006, American Chemical Society (ACS)

    Dr Antonio Frontera

  963. Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations

    Article • Chemical Physics Letters, June 2006, Elsevier

    Dr Antonio Frontera

  964. Synthesis, X-ray structure analysis and computational studies of novel bis(thiocarbamoyl) disulfides with non-covalent S⋯N and S⋯S interactions

    Article • Chemical Physics Letters, April 2006, Elsevier

    Dr Antonio Frontera

  965. DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage:  Thermodynamic Characterization and Guest Recognition

    Article • Journal of the American Chemical Society, March 2006, American Chemical Society (ACS)

    Dr Antonio Frontera

  966. Ab Initio Study of [n.n]Paracyclophane (n = 2, 3) Complexes with Cations:  Unprecedented Through-Space Substituent Effects

    Article • The Journal of Physical Chemistry A, March 2006, American Chemical Society (ACS)

    Dr Antonio Frontera

  967. A theoretical ab initio study of [n.n]paracyclophane complexes with cations

    Article • Chemical Physics Letters, January 2006, Elsevier

    Dr Antonio Frontera

  968. Anion-π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study

    Article • Chemistry - A European Journal, November 2005, Wiley

    Dr Antonio Frontera

  969. Approximate Additivity of Anion−π Interactions:  An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes

    Article • The Journal of Physical Chemistry A, September 2005, American Chemical Society (ACS)

    Dr Antonio Frontera

  970. Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

    Article • Chemical Physics Letters, August 2005, Elsevier

    Dr Antonio Frontera

  971. Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles

    Article • The Journal of Organic Chemistry, July 2005, American Chemical Society (ACS)

    Dr Antonio Frontera

  972. Counterintuitive affinity of [2.2]paracyclophane to cations

    Article • Chemical Physics Letters, June 2005, Elsevier

    Dr Antonio Frontera

  973. o-Tolidine: A new reagent for a simple nephelometric determination of anionic surfactants

    Article • Analytica Chimica Acta, May 2005, Elsevier

    Dr Antonio Frontera

  974. Structure and Binding Energy of Anion−π and Cation−π Complexes:  A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods

    Article • The Journal of Physical Chemistry A, April 2005, American Chemical Society (ACS)

    Dr Antonio Frontera

  975. Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide

    Article • Organic Letters, March 2005, American Chemical Society (ACS)

    Dr Antonio Frontera

  976. DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-Diazabicyclo[2.2.2]octane)

    Article • Chemistry - A European Journal, February 2005, Wiley

    Dr Antonio Frontera

  977. A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions

    Article • European Journal of Organic Chemistry, December 2004, Wiley

    Dr Antonio Frontera

  978. Applicability of the 1H NMR chemical shifts computed by the ab initio/GIAO-HF methodology to the study of geometrical features of Zn-porphyrin dimers

    Article • Tetrahedron Letters, December 2004, Elsevier

    Dr Antonio Frontera

  979. Cation-π vs anion-π interactions: a complete π-orbital analysis

    Article • Chemical Physics Letters, November 2004, Elsevier

    Dr Antonio Frontera

  980. Cation−π versus Anion−π Interactions:  Energetic, Charge Transfer, and Aromatic Aspects

    Article • The Journal of Physical Chemistry A, September 2004, American Chemical Society (ACS)

    Dr Antonio Frontera

  981. Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

    Article • Chemical Physics, August 2004, Elsevier

    Dr Antonio Frontera

  982. Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features

    Article • Chemical Physics Letters, July 2004, Elsevier

    Dr Antonio Frontera

  983. Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds

    Article • Molecules, April 2004, MDPI AG

    Dr Antonio Frontera

  984. Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules

    Article • The Journal of Organic Chemistry, February 2004, American Chemical Society (ACS)

    Dr Antonio Frontera, Carmen Rotger

  985. Ab initio investigations of lithium diffusion in single-walled carbon nanotubes

    Article • Chemical Physics, February 2004, Elsevier

    Dr Antonio Frontera

  986. Anion–π Interactions: Do They Exist?

    Article • Angewandte Chemie, January 2004, Wiley

    Dr Antonio Frontera, Carmen Rotger

  987. Anion–π Interactions: Do They Exist?

    Article • Angewandte Chemie, January 2004, Wiley

    Dr Antonio Frontera, Carmen Rotger

  988. A Topological Analysis of the Electron Density in Anion-π Interactions

    Article • ChemPhysChem, December 2003, Wiley

    Dr Antonio Frontera

  989. Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study

    Article • Chemical Physics Letters, December 2003, Elsevier

    Dr Antonio Frontera

  990. Lithium diffusion in single-walled carbon nanotubes: a theoretical study

    Article • Chemical Physics Letters, June 2003, Elsevier

    Dr Antonio Frontera

  991. Dual Binding Mode of s-Triazine to Anions and Cations

    Article • Organic Letters, June 2003, American Chemical Society (ACS)

    Dr Antonio Frontera

  992. Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carbon atoms and heteroatoms

    Article • Chemical Physics Letters, April 2003, Elsevier

    Dr Antonio Frontera

  993. Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex in the Presence of Six Strong Hydrogen Bonds

    Article • Organic Letters, March 2003, American Chemical Society (ACS)

    Dr Antonio Frontera

  994. s-Tetrazine as a new binding unit in molecular recognition of anions

    Article • Chemical Physics Letters, March 2003, Elsevier

    Dr Antonio Frontera

  995. Anion–π interactions: must the aromatic ring be electron deficient?

    Article • New Journal of Chemistry, December 2002, Royal Society of Chemistry

    Dr Antonio Frontera

  996. Internal rotation in squaramide and related compounds. A theoretical ab initio study

    Article • Theoretical Chemistry Accounts, October 2002, Springer Science + Business Media

    Dr Antonio Frontera

  997. Anion–π Interactions: Do They Exist?

    Article • Angewandte Chemie, September 2002, Wiley

    Dr Antonio Frontera, Carmen Rotger

  998. Predicting experimental complexation-induced changes in NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology

    Article • Chemical Physics Letters, July 2002, Elsevier

    Dr Antonio Frontera

  999. Counterintuitive interaction of anions with benzene derivatives

    Article • Chemical Physics Letters, June 2002, Elsevier

    Dr Antonio Frontera

  1000. Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic” Reference System

    Article • Chemistry - A European Journal, January 2002, Wiley

    Dr Antonio Frontera

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