All Stories

  1. Polarizabilities of Atoms in Molecules: Choice of the Partitioning Scheme and Applications for Secondary Interactions

    Article • Molecules, October 2025, MDPI AG

    Prof. Piero Macchi

  2. Jordan-Wigner mapping for nonorthogonal spin orbitals

    Article • July 2025, American Chemical Society (ACS)

    Prof. Piero Macchi

  3. Assessing the Limit of CO2 Storage in Seawater as Bicarbonate-Enriched Solutions

    Article • Molecules, August 2024, MDPI AG

    Prof. Piero Macchi

  4. Assessing the Limit of CO<sub>2</sub> Storage in Seawater as Bicarbonate-Enriched Solutions

    Article • July 2024, MDPI AG

    Prof. Piero Macchi

  5. Chemical Aspect of Ocean Liming for CO2 Removal: Dissolution Kinetics of Calcium Hydroxide in Seawater

    Article • ACS Engineering Au, May 2024, American Chemical Society (ACS)

    Prof. Piero Macchi

  6. Pressure stabilization effect on the donor–acceptor polyiodide chains in tetraethylammonium bis(diiodine) triiodide – insights from Raman spectroscopy

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

    Prof. Piero Macchi

  7. Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron Nitrilotriacetate

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

    Prof. Piero Macchi

  8. High pressure behaviour of the organic semiconductor salt (TTF-BTD)2I3

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

    Prof. Piero Macchi

  9. Pitfalls in the location of guest molecules in metal-organic frameworks

    Article • Nature Communications, September 2022, Springer Science + Business Media

    Prof. Piero Macchi

  10. From Small Metal Clusters to Molecular Nanoarchitectures with a Core–Shell Structure: The Synthesis, Redox Fingerprint, Theoretical Analysis, and Solid-State Structure of [Co38As12(CO)50]4–

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

    Prof. Piero Macchi

  11. The Dielectric Behavior of Protected HKUST-1

    Article • Chemistry, June 2022, MDPI AG

    Prof. Piero Macchi

  12. Ultrafast Vibrational Response of Activated C–D Bonds in a Chloroform–Platinum(II) Complex

    Article • The Journal of Physical Chemistry Letters, May 2022, American Chemical Society (ACS)

    Prof. Piero Macchi

  13. Chemoenzymatic Synthesis of the Most Pleasant Stereoisomer of Jessemal

    Article • The Journal of Organic Chemistry, April 2022, American Chemical Society (ACS)

    Prof. Piero Macchi

  14. Beyond the Semi-classical View of Atoms and Molecules in Crystals

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  15. Calculating the Crystal Wavefunction from Crystallographic Experiments

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  16. Concluding Remarks

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  17. How Does Quantum Mechanics Jump in the Field of Crystallography?

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  18. Introduction

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  19. Quantum Crystallography in the Everyday Life of a Crystallographer and a Quantum Chemist

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  20. Quantum Crystallography: Expectations vs Reality

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  21. Quantum Crystallography and the Standard Model

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  22. Testing Chemical Bond Theories with Quantum Crystallography

    Article • January 2022, Springer Science + Business Media

    Prof. Piero Macchi

  23. Hydrophobicity and dielectric properties across an isostructural family of MOFs: a duet or a duel?

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

    Prof. Piero Macchi

  24. Quo vadis, quantum crystallography?

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, November 2021, International Union of Crystallography

    Prof. Piero Macchi, Jean-Michel Gillet

  25. Pressure-Aided Stabilization of Pyramidal Polyiodides

    Article • The Journal of Physical Chemistry C, October 2021, American Chemical Society (ACS)

    Prof. Piero Macchi

  26. X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, September 2021, International Union of Crystallography

    Prof. Piero Macchi

  27. On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystal

    Article • Acta Crystallographica Section A Foundations and Advances, July 2021, International Union of Crystallography

    Prof. Piero Macchi

  28. Structure of the superconducting high-pressure phase of Sc3CoC4

    Article • May 2021, American Physical Society (APS)

    Prof. Piero Macchi

  29. Magnetic ground state of the one-dimensional ferromagnetic chain compounds M(NCS)2(thiourea)2 ( M=Ni,Co )

    Article • Physical Review Materials, March 2021, American Physical Society (APS)

    Prof. Piero Macchi

  30. Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

    Article • Crystals, February 2021, MDPI AG

    Prof. Piero Macchi

  31. Pressure-induced Jahn–Teller switch in the homoleptic hybrid perovskite [(CH3)2NH2]Cu(HCOO)3: orbital reordering by unconventional degrees of freedom

    Article • Journal of Materials Chemistry C, January 2021, Royal Society of Chemistry

    Prof. Piero Macchi

  32. Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers

    Article • ACS Catalysis, October 2020, American Chemical Society (ACS)

    Prof. Piero Macchi

  33. Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides

    Article • ChemPhysChem, October 2020, Wiley

    Prof. Piero Macchi

  34. The connubium between crystallography and quantum mechanics

    Article • Crystallography Reviews, October 2020, Taylor & Francis

    Prof. Piero Macchi

  35. Magnetic Network on Demand: Pressure Tunes Square Lattice Coordination Polymers Based on {[Cu(pyrazine)2]2+}n

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

    Prof. Piero Macchi

  36. Electrons in Solids: Mesoscopics, Photonics, Quantum Computing, Correlations, Topology (Graduate Texts in Condensed Matter). By Hendrik Bluhm, Thomas Brückel, Markus Morgenstern, Gero Plessen and Christoph Stampfer. De Gruyter, 2019. Paperback, ...

    Article • Acta Crystallographica Section A Foundations and Advances, June 2020, International Union of Crystallography

    Prof. Piero Macchi

  37. Structural Variety of Alkali Hydrogen Maleates at High Pressure

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

    Prof. Piero Macchi

  38. Quantum Crystallography in the Last Decade: Developments and Outlooks

    Article • Crystals, June 2020, MDPI AG

    Prof. Piero Macchi

  39. Analysis of crystal field effects and interactions using X-ray restrained ELMOs

    Article • Journal of Molecular Structure, June 2020, Elsevier

    Prof. Piero Macchi

  40. Synthesis of the Elusive bis (4‐carboxyphenylimino)acenaphthene Ligand and of its Palladium Dichloride Complex

    Article • ChemistrySelect, March 2020, Wiley

    Prof. Piero Macchi

  41. Different Metallophilic Attitudes Revealed by Compression

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

    Prof. Piero Macchi

  42. Formate-mediated magnetic superexchange in the model hybrid perovskite [(CH3)2NH2]Cu(HCOO)3

    Article • Journal of Materials Chemistry C, January 2020, Royal Society of Chemistry

    Prof. Piero Macchi

  43. On generalized partition methods for interaction energies

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

    Prof. Piero Macchi

  44. Topological and electrostatic properties of diclofenac molecule as a non-steroidal anti-inflammatory drug: An experimental and theoretical study

    Article • Journal of Molecular Structure, November 2019, Elsevier

    Prof. Piero Macchi

  45. Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2

    Article • Journal of the American Chemical Society, May 2019, American Chemical Society (ACS)

    Prof. Piero Macchi

  46. Pressure-Induced Polymerization and Electrical Conductivity of a Polyiodide

    Article • Angewandte Chemie, April 2019, Wiley

    Prof. Piero Macchi

  47. Pressure‐Induced Polymerization and Electrical Conductivity of a Polyiodide

    Article • Angewandte Chemie, April 2019, Wiley

    Prof. Piero Macchi

  48. Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3

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

    Prof. Piero Macchi

  49. Polarization, Inner and Outer Field, and Surface Charge Compensation of a Molecular Crystal

    Article • Crystal Growth & Design, November 2018, American Chemical Society (ACS)

    Prof. Piero Macchi

  50. A chiral ligand accessible in one step: Synthesis of bis-((R)-(+)-bornyl)acenaphthenequinonediimine and of its zinc and nickel complexes

    Article • Inorganica Chimica Acta, November 2018, Elsevier

    Prof. Piero Macchi

  51. NO2···NO2 Contacts under Compression: Testing the Forces in Soft Donor–Acceptor Interactions

    Article • Crystal Growth & Design, October 2018, American Chemical Society (ACS)

    Prof. Piero Macchi

  52. Giant Pressure Dependence and Dimensionality Switching in a Metal-Organic Quantum Antiferromagnet

    Article • Physical Review Letters, September 2018, American Physical Society (APS)

    Prof. Piero Macchi

  53. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, August 2018, International Union of Crystallography

    Dr Birger Dittrich, Prof. Piero Macchi, Dr. rer. nat. habil Julian Henn

  54. Structural and spectroscopic differences between enantiomers?

    Article • IUCrJ, July 2018, International Union of Crystallography

    Hans-Beat Bürgi, Prof. Piero Macchi

  55. Quantum Crystallography: Current Developments and Future Perspectives

    Article • Chemistry - A European Journal, July 2018, Wiley

    Prof. Piero Macchi

  56. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]− Species

    Article • The Journal of Physical Chemistry A, May 2018, American Chemical Society (ACS)

    Prof. Piero Macchi

  57. Quasi-2D Heisenberg Antiferromagnets [CuX(pyz)2](BF4) with X = Cl and Br

    Article • Inorganic Chemistry, February 2018, American Chemical Society (ACS)

    Prof. Piero Macchi

  58. Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

    Article • IUCrJ, January 2018, International Union of Crystallography

    Prof. Piero Macchi

  59. CHAPTER 7. Towards a Generalized Database of Atomic Polarizabilities

    Article • January 2018, Royal Society of Chemistry

    Prof. Piero Macchi

  60. Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes

    Article • Journal of Computational Chemistry, November 2017, Wiley

    Prof. Piero Macchi

  61. Periodical trends in [Co 6 E(CO) 16 ]- clusters: Structural, synthetic and energy changes produced by substitution of P with As

    Article • Journal of Organometallic Chemistry, November 2017, Elsevier

    Prof. Piero Macchi

  62. J(Si,H) Coupling Constants of Activated Si–H Bonds

    Article • The Journal of Physical Chemistry A, September 2017, American Chemical Society (ACS)

    Prof. Piero Macchi

  63. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, July 2017, International Union of Crystallography

    Prof. Piero Macchi

  64. The future of topological analysis in experimental charge-density research

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, June 2017, International Union of Crystallography

    Prof. Piero Macchi

  65. Reaction of arylhydroxylamines with [Pd(Neoc)(NO 3 ) 2 ] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion

    Article • Inorganica Chimica Acta, May 2017, Elsevier

    Prof. Piero Macchi

  66. Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S=1 quantum antiferromagnet

    Article • April 2017, American Physical Society (APS)

    Prof. Piero Macchi, Dr Craig M Brown

  67. Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?

    Article • IUCrJ, January 2017, International Union of Crystallography

    Prof. Piero Macchi

  68. Synthesis and catalytic activity of μ-oxo ruthenium(IV) porphyrin species to promote amination reactions

    Article • Journal of Porphyrins and Phthalocyanines, August 2016, World Scientific Pub Co Pte Lt

    Prof. Piero Macchi

  69. The Role of Hydrogen Bond in Designing Molecular Optical Materials

    Article • Crystals, April 2016, MDPI AG

    Prof. Piero Macchi

  70. Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

    Article • Nature Communications, March 2016, Nature

    Prof. Piero Macchi

  71. Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

    Article • Journal of the American Chemical Society, February 2016, American Chemical Society (ACS)

    Prof. Piero Macchi

  72. Optical properties of metal–organic networks from distributed atomic polarizabilities

    Article • CrystEngComm, January 2016, Royal Society of Chemistry

    Prof. Piero Macchi

  73. The benefits of one-dimensional detectors for high-pressure powder X-ray diffraction

    Article • Journal of Applied Crystallography, November 2015, International Union of Crystallography

    Prof. Piero Macchi

  74. Solid-State Reversible Nucleophilic Addition in a Highly Flexible MOF

    Article • Journal of the American Chemical Society, October 2015, American Chemical Society (ACS)

    Prof. Piero Macchi

  75. Organometallic Reactivity of [Silver(I)­(Pyridine-Containing Ligand)] Complexes Relevant to Catalysis

    Article • European Journal of Inorganic Chemistry, October 2015, Wiley

    Prof. Piero Macchi, Prof Alessandro Caselli

  76. Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study onl-Serine

    Article • The Journal of Physical Chemistry C, August 2015, American Chemical Society (ACS)

    Prof. Piero Macchi

  77. Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

    Article • IUCrJ, May 2015, International Union of Crystallography

    Prof. Piero Macchi

  78. Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates

    Article • The Journal of Physical Chemistry A, April 2015, American Chemical Society (ACS)

    Prof. Piero Macchi

  79. An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M 2 (CO) 8 ] n Systems

    Article • The Journal of Physical Chemistry A, March 2015, American Chemical Society (ACS)

    Professor Ángel Martín Pendás, Prof. Piero Macchi

  80. Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor-Acceptor Molecule

    Article • ChemPhysChem, February 2015, Wiley

    Prof. Piero Macchi

  81. Scientists discuss about the application of topological methods to chemistry

    Article • Computational and Theoretical Chemistry, February 2015, Elsevier

    Prof. Piero Macchi, Professor Vladimir G Tsirelson, Professor Paul Popelier, Dr Carlo Gatti, Professor Ramon Carbó-Dorca, Professor Ángel Martín Pendás, Michel Caffarel, Prof. Dr. Miquel Solà

  82. Calculation of bond polarizabilities in organometallic molecules

    Article • Computational and Theoretical Chemistry, February 2015, Elsevier

    Prof. Piero Macchi

  83. Anagostic Interactions under Pressure: Attractive or Repulsive?

    Article • Angewandte Chemie, January 2015, Wiley

    Prof. Piero Macchi

  84. Anagostic Interactions under Pressure: Attractive or Repulsive?

    Article • Angewandte Chemie, January 2015, Wiley

    Prof. Piero Macchi

  85. An overview of the application of charge density to the growing field of crystal engineering

    Article • Chemistry Central Journal, December 2014, Springer Science + Business Media

    Prof. Piero Macchi

  86. A comprehensive comparison between x-ray constrained wave function and multipolar model

    Article • Acta Crystallographica Section A Foundations and Advances, September 2014, International Union of Crystallography

    Prof. Piero Macchi, Leonardo Dos Santos

  87. Easy Entry into Reduced Ar‐BIANH2 Compounds: A New Class of Quinone/Hydroquinone‐Type Redox‐Active Couples with an Easily Tunable Potential

    Article • Chemistry - A European Journal, September 2014, Wiley

    Prof. Piero Macchi, Prof Alessandro Caselli

  88. ChemInform Abstract: Modern Charge Density Studies: The Entanglement of Experiment and Theory

    Article • ChemInform, August 2014, Wiley

    Prof. Piero Macchi

  89. distributed atomic polarizabilities

    Article • Journal of Applied Crystallography, June 2014, International Union of Crystallography

    Prof. Piero Macchi

  90. Synthesis of Biologically Relevant Compounds by Ruthenium Porphyrin Catalyzed Amination of Benzylic C–H Bonds

    Article • Organometallics, April 2014, American Chemical Society (ACS)

    Prof Alessandro Caselli, Prof. Piero Macchi

  91. a perspective article on the application of crystallohraphic methods to crystal engineering

    Article • CHIMIA International Journal for Chemistry, February 2014, Swiss Chemical Society

    Prof. Piero Macchi

  92. The stereochemistry of Mn2CO10 under pressure

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Prof. Piero Macchi

  93. New phases found in a system characterized by pressure induced orbital ordering

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Prof. Piero Macchi

  94. Photoluminescence of the first examples of metal–organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Prof. Piero Macchi

  95. Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate

    Article • Crystal Growth & Design, June 2013, American Chemical Society (ACS)

    Prof. Piero Macchi, Dr Marlena Gryl

  96. An updated and comprehensive review of the modern charge density analysis

    Article • Crystallography Reviews, April 2013, Taylor & Francis

    Prof. Piero Macchi

  97. Electron density building block approach for metal organic frameworks

    Article • Physica Scripta, March 2013, Institute of Physics Publishing

    Prof. Piero Macchi

  98. The structure of some [4.5.5.5]fenestranes

    Article • Tetrahedron, March 2013, Elsevier

    Prof. Piero Macchi

  99. Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]− and [Pt<...

    Article • Inorganic Chemistry, January 2013, American Chemical Society (ACS)

    Prof. Piero Macchi

  100. Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*)

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Prof Alessandro Caselli, Prof. Piero Macchi

  101. Stereoselectivity of Additions toN-Methyl Acetonitrilium Fluorosulfonate

    Article • The Journal of Organic Chemistry, November 2012, American Chemical Society (ACS)

    Prof. Piero Macchi

  102. Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido–Carbonyl Clusters Based on the Rh10(C)2Au4–6Framework

    Article • Inorganic Chemistry, August 2012, American Chemical Society (ACS)

    Prof. Piero Macchi

  103. Unexpected isomerism in “[Pd(2,9-dimethylphenanthroline)X2]” (X = Cl, Br, I) complexes: a neutral and an ionic form exist

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Prof. Piero Macchi

  104. The most up to date guide to the charge density analysis

    Article • January 2012, Springer Science + Business Media

    Prof. Piero Macchi, Dr Carlo Gatti

  105. On the nature of chemical bonding in γ-boron

    Article • Journal of Superhard Materials, December 2011, Allerton Press

    Prof. Piero Macchi

  106. Insights into the Mechanism of the Ruthenium-Porphyrin-Catalysed Allylic Amination of Olefins by Aryl Azides

    Article • European Journal of Inorganic Chemistry, November 2011, Wiley

    Prof Alessandro Caselli, Prof. Piero Macchi

  107. Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem

    Article • Journal of Applied Crystallography, June 2011, International Union of Crystallography

    Prof. Piero Macchi

  108. Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs

    Article • Journal of Pharmaceutical Sciences, June 2011, Elsevier

    Prof. Piero Macchi, Dr Giovanna Bruni

  109. Mapping Palladium Reduction by Carbon Monoxide in a Catalytically Relevant System. A Novel Palladium(I) Dimer

    Article • Organometallics, March 2011, American Chemical Society (ACS)

    Prof Alessandro Caselli, Prof. Piero Macchi

  110. Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)

    Article • Chemical Communications, January 2011, Royal Society of Chemistry

    Prof. Piero Macchi, Dr Thomas D Bennett

  111. Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Prof. Piero Macchi, Professor Ángel Martín Pendás

  112. A Guided Tour Through Modern Charge Density Analysis

    Article • January 2011, Springer Science + Business Media

    Prof. Piero Macchi, Dr Carlo Gatti

  113. Cryo-Crystallography: Diffraction at Low Temperature and More

    Article • January 2011, Springer Science + Business Media

    Prof. Piero Macchi

  114. High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone

    Article • CrystEngComm, January 2011, Royal Society of Chemistry

    Prof. Piero Macchi

  115. Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains

    Article • Inorganic Chemistry, November 2010, American Chemical Society (ACS)

    Prof. Piero Macchi

  116. Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

    Article • Journal of Chemical Theory and Computation, March 2010, American Chemical Society (ACS)

    Prof. Piero Macchi, Professor Ángel Martín Pendás

  117. ChemInform Abstract: Electron Density Distribution in Organometallic Materials

    Article • ChemInform, March 2010, Wiley

    Prof. Piero Macchi

  118. Four tetrairidiumcarbonylclusters linked by six diphosphino ligands: synthesis and X-ray structure of [{Ir4(CO)9}4(dppmb)6] (dppmb = 1,4-bis(diphenylphosphinomethyl)benzene

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Prof. Piero Macchi

  119. Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Prof Alessandro Caselli, Prof. Piero Macchi

  120. Bond Orders in Metal–Metal Interactions Through Electron Density Analysis

    Article • January 2010, Springer Science + Business Media

    Prof. Piero Macchi

  121. Bond Orders in Metal–Metal Interactions Through Electron Density Analysis

    Article • January 2010, Springer Science + Business Media

    Prof. Piero Macchi

  122. The α and β forms of oxalic acid di-hydrate at high pressure: a theoretical simulation and a neutron diffraction study

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Prof. Piero Macchi

  123. Ab Initio Quantum Chemistry and Semi-Empirical Description of Solid State Phases Under High Pressure: Chemical Applications

    Article • January 2010, Springer Science + Business Media

    Prof. Piero Macchi

  124. Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties

    Article • Journal of Materials Chemistry, January 2010, Royal Society of Chemistry

    Prof. Piero Macchi

  125. Is the source function really able to address electron delocalization?

    Article • The Journal of Physical Chemistry A, August 2009, American Chemical Society (ACS)

    Prof. Piero Macchi

  126. Mechanistic Study of the Palladium-Phenanthroline Catalyzed Carbonylation of Nitroarenes and Amines: Palladium-Carbonyl Intermediates and Bifunctional Effects

    Article • Chemistry - A European Journal, August 2009, Wiley

    Prof Alessandro Caselli, Prof. Piero Macchi

  127. Resonanzstrukturen und Elektronendichteanalyse

    Article • Angewandte Chemie, July 2009, Wiley

    Prof. Piero Macchi

  128. The resonance mechanism in chemistry from the electron deocalization index

    Article • Angewandte Chemie, July 2009, Wiley

    Prof. Piero Macchi

  129. Molecular Crystals Under High Pressure: Theoretical and Experimental Investigations of the Solid–Solid Phase Transitions in [Co2(CO)6(XPh3)2] (X=P, As)

    Article • Chemistry - A European Journal, April 2009, Wiley

    Prof. Piero Macchi

  130. Synthesis, Spectroscopic, and X-ray Characterization of Rhenium Carbonyl Complexes with Different Silsesquioxanes, as Models That Mimic the Chemical Behavior and the Topology of the Silica Surface

    Article • Organometallics, April 2009, American Chemical Society (ACS)

    Prof. Piero Macchi

  131. Electron Density Distribution in Organometallic Materials

    Article • CHIMIA International Journal for Chemistry, February 2009, Swiss Chemical Society

    Prof. Piero Macchi

  132. The key intermediate in the amination of saturated C–H bonds: synthesis, X-ray characterization and catalytic activity of Ru(TPP)(NAr)2 (Ar = 3,5-(CF3)2C6H3)

    Article • Chemical Communications, January 2009, Royal Society of Chemistry

    Prof Alessandro Caselli, Prof. Piero Macchi

  133. Hydrogen migration in oxalic acid di-hydrate at high pressure?

    Article • Chemical Communications, January 2009, Royal Society of Chemistry

    Prof. Piero Macchi

  134. Tuning the magnetic properties of a new family of hybrid mixed metal oxalates having 1D magnetic chains and layers of J aggregates of [DAMS+] producing superior SHG

    Article • Inorganica Chimica Acta, October 2008, Elsevier

    Prof. Piero Macchi, Dr Lapo Bogani

  135. Synthesis and Solid-State Behavior of Host–Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands

    Article • Crystal Growth & Design, February 2008, American Chemical Society (ACS)

    Prof. Piero Macchi

  136. Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands

    Article • Dalton Transactions, January 2008, Royal Society of Chemistry

    Prof Alessandro Caselli, Prof. Piero Macchi

  137. Synthesis, crystal structure and crystal packing of diaza[5]helicenes

    Article • New Journal of Chemistry, January 2008, Royal Society of Chemistry

    Prof. Piero Macchi

  138. Theoretical Investigations of the Effects of J-Aggregation on the Linear and Nonlinear Optical Properties ofE-4-(4-Dimethylaminostyryl)-1-methylpyridinium [DAMS+]

    Article • The Journal of Physical Chemistry C, January 2008, American Chemical Society (ACS)

    Prof. Piero Macchi

  139. Polyfunctional Inorganic−Organic Hybrid Materials:  An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation

    Article • Journal of the American Chemical Society, July 2007, American Chemical Society (ACS)

    Prof. Piero Macchi, Dr Lapo Bogani

  140. Insertion of ethyl diazoacetate into the platinum–carbon bond of Pt(diphosphine)(halide)(aryl) complexes. X-ray structure of the Pt{(2S,4S)-bdpp)}I(Ph) complex

    Article • Transition Metal Chemistry, June 2007, Springer Science + Business Media

    Prof. Piero Macchi

  141. Improving the quality of diamond anvil cell data collected on an area detector by shading individual diamond overlaps

    Article • Journal of Applied Crystallography, May 2007, International Union of Crystallography

    Prof. Piero Macchi

  142. Poly(vinylidene fluoride) membranes by phase inversion: the role the casting and coagulation conditions play in their morphology, crystalline structure and properties

    Article • European Polymer Journal, April 2007, Elsevier

    Professor Enrico Drioli, Prof. Piero Macchi

  143. Synthesis and structural characterization of functionalized cyclotetrasiloxane rings [4-RC6H4Si(O)OR′]4 (R=Cl, Br, CHCH2, CH2Cl; R′=Na, SiMe3) as scaffolds for the synthesis of models of a silica bound monolayer of fluorescent or second order NLO activ...

    Article • Journal of Organometallic Chemistry, April 2007, Elsevier

    Prof. Piero Macchi

  144. The electron density bonding features in transition metal complexes

    Article • January 2007, Wiley

    Prof. Piero Macchi

  145. Mixed Co−Rh Nitrido-Encapsulated Carbonyl Clusters. Synthesis, Solid-State Structure, and Electrochemical/EPR Characterization of the Anions [Co10Rh(N)2(CO)21]3-, [Co10Rh2(N)2...

    Article • Inorganic Chemistry, December 2006, American Chemical Society (ACS)

    Prof. Piero Macchi

  146. A Re(CO)5Fragment Bonded to a Polyhedral Oligomeric Hydroxysilsesquioxane as a Model which Gives Further Evidence to the Existence of an Unexpected Re(CO)5Surface Species

    Article • Journal of the American Chemical Society, August 2006, American Chemical Society (ACS)

    Prof. Piero Macchi

  147. The effect on E-stilbazoles second order NLO response by axial interaction with M(II) 5,10,15,20-tetraphenyl porphyrinates (M = Zn, Ru, Os); a new crystalline packing with very large holes

    Article • Inorganica Chimica Acta, June 2006, Elsevier

    Prof. Piero Macchi

  148. Synthesis of platinum-iodo-alkyl/aryl complexes in ligand-exchange reactions: Determination of the structure of Pt{(S,S)-bdpp}(X)I complexes (X = Me, I) by X-ray crystallography

    Article • Journal of Organometallic Chemistry, June 2006, Elsevier

    Prof. Piero Macchi

  149. Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)

    Article • New Journal of Chemistry, January 2006, Royal Society of Chemistry

    Prof. Piero Macchi

  150. Staggered to Eclipsed Conformational Rearrangement of [Co2(CO)6(PPh3)2] in the Solid State: An X‐ray Diffraction Study at High Pressure and Low Temperature

    Article • Angewandte Chemie, November 2005, Wiley

    Prof. Piero Macchi

  151. Staggered to Eclipsed Conformational Rearrangement of [Co2(CO)6(PPh3)2] in the Solid State: An X‐ray Diffraction Study at High Pressure and Low Temperature

    Article • Angewandte Chemie, November 2005, Wiley

    Prof. Piero Macchi

  152. The Electron Density of Bridging Hydrides Observed via Experimental and Theoretical Investigations on [Cr2(μ2-H)(Co)10]-

    Article • Journal of the American Chemical Society, November 2005, American Chemical Society (ACS)

    Prof. Piero Macchi

  153. Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex

    Article • Organometallics, August 2005, American Chemical Society (ACS)

    Prof Alessandro Caselli, Prof. Piero Macchi

  154. Surface organometallic chemistry — Carbonyl complexes of Re(I) with silanolates as models of silica anchored rhenium carbonyl species

    Article • Canadian Journal of Chemistry, June 2005, Canadian Science Publishing

    Prof. Piero Macchi

  155. Cover Picture: Synthesis and Characterization of Some Aza[5]helicenes (Eur. J. Org. Chem. 7/2005)

    Article • European Journal of Organic Chemistry, April 2005, Wiley

    Sergio Brovelli, Prof. Piero Macchi

  156. Synthesis and Characterization of Some Aza[5]helicenes

    Article • European Journal of Organic Chemistry, April 2005, Wiley

    Sergio Brovelli, Prof. Piero Macchi

  157. Using ring strain to inhibit a decomposition path: first synthesis of an Alkyl-BIAN ligand (Alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)

    Article • Chemical Communications, January 2005, Royal Society of Chemistry

    Prof. Piero Macchi

  158. Variable-temperature X-ray crystallographic studies: a complementary tool for charge-density investigation of soft (organometallic) bonds

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2004, International Union of Crystallography

    Prof. Piero Macchi

  159. Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters:  Parallel Pathways for Conversion of the [Co10N2(CO)19]4-Anion to the Novel [Co11N2(CO)21]3-

    Article • Inorganic Chemistry, February 2004, American Chemical Society (ACS)

    Prof. Piero Macchi

  160. Synthesis of mixed Ar,Ar′-BIAN ligands (Ar,Ar′-BIAN = bis(aryl)acenaphthenequinonediimine). Measurement of the coordination strength of hemilabile ligands with respect to their symmetric counterparts

    Article • Dalton Transactions, January 2004, Royal Society of Chemistry

    Prof Alessandro Caselli, Prof. Piero Macchi

  161. Synthesis, structural and electrochemical characterization of the nitrido-carbonyl cluster anion [Co13N2(CO)24]3−. The different redox propensity of the two isostructural families [Co13N2(CO)24]n− and [Co13C2(CO)24]m−

    Article • Inorganica Chimica Acta, July 2003, Elsevier

    Prof. Piero Macchi

  162. Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities.

    Article • Coordination Chemistry Reviews, March 2003, Elsevier

    Prof. Piero Macchi

  163. Reversible displacive phase transition in [Ni(en)3]2+(NO3−)2: a potential temperature calibrant for area-detector diffractometers

    Article • Journal of Applied Crystallography, January 2003, International Union of Crystallography

    Prof. Piero Macchi

  164. Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]-

    Article • Journal of the American Chemical Society, October 2002, American Chemical Society (ACS)

    Prof. Piero Macchi

  165. The acentric nature of trans-stilbazole crystals and the origin of its NLO response

    Article • New Journal of Chemistry, December 2001, Royal Society of Chemistry

    Prof. Piero Macchi

  166. Synthesis and Structural Characterization of the {[Rh5(CO)14]−(H2N(CH2)4NH2)−[Rh5(CO)14])}2-and [Rh5(CO)13(H2...

    Article • Inorganic Chemistry, December 2001, American Chemical Society (ACS)

    Prof. Piero Macchi

  167. Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I−

    Article • Acta Crystallographica Section A Foundations of Crystallography, October 2001, International Union of Crystallography

    Prof. Piero Macchi

  168. Experimental and Theoretical Electron Density Study of the Peroxo Function in Oxoperoxo(pyridine-2,6-dicarboxylato)(hexamethylphosphoramide)molybdenum(VI):  Implications for Olefin Epoxidation by Peroxo Transition Metal Complexes

    Article • The Journal of Physical Chemistry A, September 2001, American Chemical Society (ACS)

    Prof. Piero Macchi

  169. Article • Journal of Cluster Science, January 2001, Springer Science + Business Media

    Prof. Piero Macchi

  170. Interanionic O−H⋅⋅⋅O Interactions: The Charge Density Point of View

    Article • Angewandte Chemie, August 2000, Wiley

    Prof. Piero Macchi

  171. Interanionic O−H⋅⋅⋅O Interactions: The Charge Density Point of View

    Article • Angewandte Chemie, August 2000, Wiley

    Prof. Piero Macchi

  172. [Pt19(CO)21(NO)]3 and [Pt38(CO)44]2: Nitrosyl Bending through Intramolecular Electron Transfer as an Intermediate Step in the Nucleation Process from Polydecker to ccp Platinum Carbonyl Clusters

    Article • Angewandte Chemie, December 1999, Wiley

    Prof. Piero Macchi

  173. [Pt19(CO)21(NO)]3− und [Pt38(CO)44]2−: Biegung einer Nitrosylgruppe durch intramolekulare Elektronenübertragung als Zwischenschritt bei der Bildung eines kubisch dichtest gepackten Platincarbonylclusters aus einem Polydecker

    Article • Angewandte Chemie, December 1999, Wiley

    Prof. Piero Macchi

  174. [Pt19(CO)21(NO)]3− and [Pt38(CO)44]2−: Nitrosyl Bending through Intramolecular Electron Transfer as an Intermediate Step in the Nucleation Process from Polydecker toccp Platinum Carbonyl Clusters

    Article • Angewandte Chemie, December 1999, Wiley

    Prof. Piero Macchi

  175. Charge Density in Transition Metal Clusters:  Supported vs Unsupported Metal−Metal Interactions

    Article • Journal of the American Chemical Society, October 1999, American Chemical Society (ACS)

    Prof. Piero Macchi

  176. Synthesis and chemical behavior of [MFe4(CO)16]n− (M=Au, Zn, Cd, Hg) clusters: X ray structure of [NMe3CH2Ph]2[Au{Fe2(CO)8}2]Cl and [PPh4]2[Cd{Fe2(CO)6(μ-CO)2}2]2CH3CN

    Article • Solid State Sciences, October 1999, Elsevier

    Prof. Piero Macchi

  177. Neue Ni-Pt-Carbonylcluster, bei denen ein Pt-Tetraeder in einem unvollständigen Ni-Tetraeder eingeschlosen ist: [Ni36Pt4(CO)45]6− und [Ni37Pt4(CO)46]6−

    Article • Angewandte Chemie, February 1999, Wiley

    Prof. Piero Macchi

  178. New Ni-Pt Carbonyl Clusters with a Tetrahedron of Platinum Atoms Encapsulated in an Incomplete Tetrahedron of Nickel Atoms: [Ni36Pt4(CO)45]6− and [Ni37Pt4(CO)46]6−

    Article • Angewandte Chemie, February 1999, Wiley

    Prof. Piero Macchi

  179. Complex Interwoven Polymeric Frames from the Self-Assembly of Silver(I) Cations and Sebaconitrile

    Article • Chemistry - A European Journal, January 1999, Wiley

    Prof. Piero Macchi, Professor Davide M Proserpio

  180. Complex Interwoven Polymeric Frames from the Self-Assembly of Silver(I) Cations and Sebaconitrile

    Article • Chemistry - A European Journal, January 1999, Wiley

    Prof. Piero Macchi

  181. Experimental Electron Density in a Transition Metal Dimer:  Metal−Metal and Metal−Ligand Bonds

    Article • Journal of the American Chemical Society, December 1998, American Chemical Society (ACS)

    Prof. Piero Macchi

  182. Characterization of the Solid−Solid Phase Transition of Co2(CO)6(AsPh3)2

    Article • Inorganic Chemistry, November 1998, American Chemical Society (ACS)

    Prof. Piero Macchi

  183. Synthesis and Structural Characterization of the Nitrido−Carbonyl Cluster Anion [Co10N2(CO)9(μ-CO)10]4- Having an Unprecedented Metal Cage Built of Three Condensed Trigonal Prisms

    Article • Inorganic Chemistry, May 1998, American Chemical Society (ACS)

    Prof. Piero Macchi

  184. Quantum Theory of Atoms in Molecules explains metal-olefin complexes

    Article • Journal of the American Chemical Society, February 1998, American Chemical Society (ACS)

    Prof. Piero Macchi

  185. Site Preference of Ligand and Metal Substitution in Trigonal-Bipyramidal Metal Carbonyl Clusters

    Article • Organometallics, May 1997, American Chemical Society (ACS)

    Prof. Piero Macchi