All Stories

  1. Sulfur-based Fluoroborates: A New Class of MR-TADF Emitters based on a Pentazine Topology
  2. BisBF2 pyridoins: A new platform for the design of efficient two-photon absorbers
  3. Structure of Organoboron Dyes and Multiphoton Absorption: Insights from Theory
  4. Thioflavin T Inspirations: On the Photophysical and Aggregation Properties of Fluorescent Difluoroborates Based on the Benzothiazole Core
  5. Computational insights into two-photon absorption of centrosymmetric organoboron complexes
  6. Isoelectronic Push–Pull Fluorescent Difluoroborates: Halogen Bonding and Photophysical Properties
  7. A novel O,N,O-coordinated organofluoroboron probe for amyloid detection: insight from experiment and theory
  8. BisBF 2 pyridoins: a new platform for the design of efficient two-photon absorbers
  9. Construction of Highly Functionalized 2-Styrylfurans by N-Heterocyclic Carbene/Brønsted Acid Catalysis
  10. Topology Switch between AIE and ACQ: A Balance of Substituents
  11. One- and two-photon absorption spectra of organoboron complexes: vibronic and environmental effects
  12. BF2-Functionalized Benzothiazole Amyloid Markers: Effect of Donor Substituents on One- and Two-Photon Properties
  13. Topology switch between AIE and ACQ: a balance of substituents
  14. Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening
  15. Polyaromatic hydrocarbon antennas as tools for tuning properties of push-pull difluoroborates
  16. Tautomeric Equilibrium in 1-Benzamidoisoquinoline Derivatives
  17. Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯perfluorohaloarene complexes
  18. Unveiling Halogen-Bonding Interactions between a Pyridine-Functionalized Fluoroborate Dye and Perfluorohaloarenes with Fluorescence Spectroscopy
  19. Controlling the fluorescence quantum yields of benzothiazole-difluoroborates by optimal substitution
  20. Benchmarking Density Functional Approximations for Excited-State Properties of Fluorescent Dyes
  21. Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates
  22. The Application of 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine in Solvent Extraction and Polymer Membrane Separation for the Recovery of Au(III), Ag(I), Pd(II) and Pt(II) Ions from Aqueous Solutions
  23. The fabrication, characterization, and pervaporation performance of poly(ether-block-amide) membranes blended with 4-(trifluoromethyl)-N(pyridine-2-yl)benzamide and 4-(dimethylamino)-N(pyridine-2-yl)benzamide fillers
  24. Substituted 2-(2-hydroxyphenyl)–3H-quinazolin-4-ones and their difluoroboron complexes: Synthesis and photophysical properties
  25. 2,6-Bis((benzoyl-R)amino)pyridine (R = H, 4-Me, and 4-NMe2) Derivatives for the Removal of Cu(II), Ni(II), Co(II), and Zn(II) Ions from Aqueous Solutions in Classic Solvent Extraction and a Membrane Extraction
  26. Two-Photon Absorption Activity of BOPHY Derivatives: Insights from Theory
  27. Molecular Decoration of Ceramic Supports for Highly Effective Enzyme Immobilization—Material Approach
  28. Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates
  29. Tailoring the nonlinear absorption of fluorescent dyes by substitution at a boron center
  30. Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes
  31. Synthesis and Photophysical Studies of Novel V‐Shaped 2,3‐Bis{5‐aryl‐2‐thienyl}(dibenzo[f,h])quinoxalines
  32. The Copper(II) Ions Solvent Extraction with a New Compound: 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine
  33. Symmetric Fluoroborate and its Boron Modification: Crystal and Electronic Structures
  34. The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates
  35. Cover Feature: Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups (ChemPhotoChem 9/2019)
  36. Conformational and Tautomeric Control by Supramolecular Approach in Ureido-N-iso-propyl,N’-4-(3-pyridin-2-one)pyrimidine
  37. Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups
  38. A detailed theoretical and experimental study on the N H, P O and C O stretching frequencies in two new phosphoric triamides and a statistical comparison with analogous structures
  39. Conformational Equilibrium and Substituent Effects in Hydrogen-bonded Complexes
  40. Influence of the Nature of the Amino Group in Highly Fluorescent Difluoroborates Exhibiting Intramolecular Charge Transfer
  41. Spectral and physicochemical properties of difluoroboranyls containing N , N -dimethylamino group studied by solvatochromic methods
  42. Collision induced dissociation of N -(pyridin-2-yl)-substituted benzo(thio)amides and N -(isoquinolin-1-yl)furan(thiophene)-2-carboxamides and their difluoroboranyl derivatives
  43. The trans/cis photoisomerization in hydrogen bonded complexes with stability controlled by substituent effects: 3-(6-aminopyridin-3-yl)acrylate case study
  44. Difluoroboranyl derivatives as efficient panchromatic photoinitiators in radical polymerization reactions
  45. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples
  46. 2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3H-naphtho[1,2-e][1,3,2]oxazaborinin-2-ium-3-uide
  47. 2,2-Difluoro-3-(4-fluorophenyl)-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide
  48. Double benzannulation of fluorophore may tune its properties
  49. Two-photon absorption in difluoroborate amide-derivatives
  50. Bis(urea) derivative interacts preferably by one side only
  51. Halogen bonded amide based on diazine
  52. N,N′-Bis(pyridin-2-yl)octanediamide
  53. N-(Pyrazin-2-yl)adamantane-1-carboxamide
  54. Synthesis and Photophysical Properties of Novel Donor–Acceptor N-(Pyridin-2-yl)-Substituted Benzo(thio)amides and Their Difluoroboranyl Derivatives
  55. Tuning the Electronic Properties of the Dative N−B Bond with Associated O−B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement
  56. The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group
  57. Substituent driven photoisomerization
  58. Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case
  59. Toward Fully Nonempirical Simulations of Optical Band Shapes of Molecules in Solution: A Case Study of Heterocyclic Ketoimine Difluoroborates
  60. Use of time-resolved fluorescence spectroscopy to evaluate diagnostic value of collagen degradation products
  61. Benzoannulation influences photo physical properties of BF2-carrying molecules
  62. Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamide
  63. Comment of paper on association by hydrogen bonding
  64. Association of 2-acylaminopyridines and benzoic acids. Steric and electronic substituent effect studied by XRD, solution and solid-state NMR and calculations
  65. Substituent effects on the photophysical properties of fluorescent 2-benzoylmethylenequinoline difluoroboranes: A combined experimental and quantum chemical study
  66. N-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamiden-hexane 0.25-solvate hemihydrate
  67. 6-Amino-2-(pivaloylamino)pyridinium benzoate
  68. Molecule's isomerization controlled by the substituent in the counterpart
  69. The influence of CH bond polarization on the self-association of 2-acylaminopyrimidines by NH/CH···O/N interactions: XRD, NMR, DFT, and AIM study
  70. ChemInform Abstract:15N NMR Studies of Tautomerism
  71. Let's tune fluorescence
  72. 2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies
  73. Tautomerism vs 15N NMR
  74. Two (E)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols
  75. Noncovalent interactions between classical supramolecular synthons in solution: Hydrogen bonding in hindered 2-acylaminopyridine/2-pyridone associates
  76. 2-Acylamino-6-pyridones: Breaking of an Intramolecular Hydrogen Bond by Self-association and Complexation with Double and Triple Hydrogen Bonding Counterparts. Uncommon Steric Effect on Intermolecular Interactions
  77. NMR crystallography of 2-acylamino-6-[1H]-pyridones: Solid-state NMR, GIPAW computational, and single crystal X-ray diffraction studies
  78. N2,N2,N6,N6-Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine
  79. Tuning the hydrogen-bonding strength in 2,6-bis(cycloalkylcarbonylamino)pyridine assemblies by variable flexibility. Association constants measured by hydrogen-bonded vs. non-hydrogen-bonded protons
  80. Proton transfer reaction and intermolecular interactions in associates of 2,5-dihydroxy-1,8-naphthyridine
  81. Intermolecular steric hindrance in 7-acylamino-[1H]-2-oxo-1,8-naphthyridines: NMR, ESI-MS, IR, and DFT calculation studies
  82. Benzoannulation vs. proton transfer
  83. The influence of secondary interactions on complex stability and double proton transfer reaction in 2-[1H]-pyridone/2-hydroxypyridine dimers
  84. Complexation of 2,6-Bis(acylamino)pyridines with Dipyridin-2-ylamine and 4,4-Dimethylpiperidine-2,6-dione
  85. DFT studies on tautomeric preferences of 1-(pyridin-2-yl)-4-(quinolin-2-yl)butane-2,3-dione in the gas phase and in solution
  86. Self-Organization of 2-Acylaminopyridines in the Solid State and in Solution
  87. NMR and quantum chemical studies on association of 2,6-bis(acylamino)pyridines with selected imides and 2,2′-dipyridylamine
  88. DFT studies on tautomeric preferences. Part 3: Proton transfer in 2-(8-acylquinolin-2-yl)-1,3-diones
  89. (Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-ylidene)propanoate
  90. ChemInform Abstract: 4-Fluoroanilines: Synthesis and Decomposition.
  91. Systematic investigation of 2,7-dihydroxy-1,8-naphthyridine dimerization – secondary interactions and tautomeric preferences calculations
  92. Secondary interactions as driving force in heterocomplex formation of 2,7-disubstituted-1,8-naphthyridines: Quantum chemical, NMR and mass spectral investigations
  93. (1Z,3Z)-3-[Quinolin-2(1H)-ylidene]-1-(quinolin-2-yl)prop-1-en-2-ol: An unexpected most stable tautomer of 1,3-bis(quinolin-2-yl)acetone
  94. Effect of vinylene and 1,4-phenylene spacers on efficiency of the ground-state intramolecular charge-transfer in enlarged 4-dimethylamino-1-methylpyridinium cations
  95. Electron ionization mass spectra and tautomerism of substituted 2-phenacylquinolines
  96. N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide
  97. Tautomeric preferences of phthalones and related compounds
  98. NMR Spectra of Anilines
  99. GIAO/DFT13C NMR Chemical Shifts of 1,3,4-Thiadiazoles
  100. Influence of Bond Fixation in Benzo-AnnulatedN-Salicylideneanilines and Theirortho-C(O)X Derivatives (X = CH3, NH2, OCH3) on Tautomeric Equilibria in Solution
  101. Bischromophoric styrylpyridinium dyes
  102. Topology-Driven Physicochemical Properties of π-Εlectron Systems. 1. Does the Clar Rule Work in Cyclic π-Electron Systems with the Intramolecular Hydrogen or Lithium Bond?
  103. Effect of π-Electron Delocalization on Tautomeric Equilibria – Benzoannulated 2-Phenacylpyridines
  104. Tautomeric Equilibria and Pi Electron Delocalization for Some MonohydroxyarenesQuantum Chemical Studies†
  105. The experimental studies on the determination of the ground and excited state dipole moments of some hemicyanine dyes
  106. Electron Ionization Mass Spectra and Tautomerism of 2-Phenacylpyridines
  107. Tautomeric Equilibria in Relation to Pi-Electron Delocalization
  108. Tautomeric Equilibria in Relation to Pi-Electron Delocalization
  109. Tautomeric equilibria, H-bonding and π-electron delocalization ino-nitrosophenol. A B3LYP/6-311 + G(2df,2p) study
  110. Complex tauto- and rotamerism of 2-(R-phenyl)-1,2,3,4-tetrahydroquinazolines
  111. 13C-NMR Based Evaluation of the Electronic and Steric Interactions in Aromatic Amines
  112. (1Z,3Z)-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol:  The Planar Highly Conjugated Symmetrical Enediol with Multiple Intramolecular Hydrogen Bonds.
  113. Identity Double-Proton Transfer in (3Z)-3-Hydroxy-1,4-di(quinolin-2-yl)but-3-en-2-one
  114. Structural characterization of β-2′-pyridylaminocrotonoyl-2-pyridylamide by ESI-MS, NMR, single crystal X-ray analysis and ab initio methods
  115. STABILITY OF THE DIMERS OF AZA ANALOGS OF 2-FORMYLPYRROLE. CONJUGATION VERSUS HYDROGEN BONDING
  116. (1Z,3Z)-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol:  The Planar Highly Conjugated Symmetrical Enediol with Multiple Intramolecular Hydrogen Bonds
  117. Predominance of 2‐arylhydrazones of 1,3‐diphenylpropane‐1,2,3‐trione over its proton‐transfer products
  118. Predominance of 2‐arylhydrazones of 1,3‐diphenylpropane‐1,2,3‐trione over its proton‐transfer products
  119. 4-Fluoroanilines: synthesis and decomposition
  120. GIAO/DFT calculated chemical shifts of tautomeric species. 2-Phenacylpyridines and (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines
  121. Long-range substituent and temperature effect on prototropic tautomerism in 2-(acylmethyl)quinolines
  122. ChemInform Abstract: Substituent and Temperature Controlled Tautomerism: Multinuclear Magnetic Resonance, X‐Ray, and Theoretical Studies on 2‐Phenacylquinolines.
  123. N-methyl-1,2-dihydro-2-benzoylmethylenequinolines: configurational dissimilarity with unmethylated congeners
  124. NMR spectral and X-ray structural investigation of 1,3-bis(2-quinolyl)-2-(p-chlorophenyl)-2-propanol
  125. Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
  126. Substituent and temperature controlled tautomerism of 2-phenacylpyridine: the hydrogen bond as a configurational lock of (Z )-2-(2-hydroxy-2-phenylvinyl)pyridine
  127. SYNTHESIS AND NMR SPECTRA OF 2-METHYL-2-QUINOLIN-2-YL-PROPIOPHENONES
  128. Predominance of inductive over resonance substituent effect on33S NMR chemical shifts of 4-substituted phenyl-4′-methylphenacyl sulfones
  129. Predominance of resonance over polar effects on1H,13C and15N NMR substituent chemical shifts inN-arylglycines
  130. NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques withz-gradient selection: correlation of NMR parameters with substituent constants
  131. NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques with z-gradient selection: correlation of NMR parameters with substituent constants