All Stories

  1. Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening
  2. Polyaromatic hydrocarbon antennas as tools for tuning properties of push-pull difluoroborates
  3. Tautomeric Equilibrium in 1-Benzamidoisoquinoline Derivatives
  4. Unveiling Halogen-Bonding Interactions between a Pyridine-Functionalized Fluoroborate Dye and Perfluorohaloarenes with Fluorescence Spectroscopy
  5. Controlling the fluorescence quantum yields of benzothiazole-difluoroborates by optimal substitution
  6. Benchmarking Density Functional Approximations for Excited-State Properties of Fluorescent Dyes
  7. Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates
  8. 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
  9. 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
  10. Substituted 2-(2-hydroxyphenyl)–3H-quinazolin-4-ones and their difluoroboron complexes: Synthesis and photophysical properties
  11. 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
  12. Two-Photon Absorption Activity of BOPHY Derivatives: Insights from Theory
  13. Molecular Decoration of Ceramic Supports for Highly Effective Enzyme Immobilization—Material Approach
  14. Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates
  15. Tailoring the nonlinear absorption of fluorescent dyes by substitution at a boron center
  16. Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes
  17. Synthesis and Photophysical Studies of Novel V‐Shaped 2,3‐Bis{5‐aryl‐2‐thienyl}(dibenzo[f,h])quinoxalines
  18. The Copper(II) Ions Solvent Extraction with a New Compound: 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine
  19. Symmetric Fluoroborate and its Boron Modification: Crystal and Electronic Structures
  20. The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates
  21. Cover Feature: Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups (ChemPhotoChem 9/2019)
  22. Conformational and Tautomeric Control by Supramolecular Approach in Ureido-N-iso-propyl,N’-4-(3-pyridin-2-one)pyrimidine
  23. Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups
  24. 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
  25. Conformational Equilibrium and Substituent Effects in Hydrogen-bonded Complexes
  26. Influence of the Nature of the Amino Group in Highly Fluorescent Difluoroborates Exhibiting Intramolecular Charge Transfer
  27. Spectral and physicochemical properties of difluoroboranyls containing N , N -dimethylamino group studied by solvatochromic methods
  28. 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
  29. The trans/cis photoisomerization in hydrogen bonded complexes with stability controlled by substituent effects: 3-(6-aminopyridin-3-yl)acrylate case study
  30. Difluoroboranyl derivatives as efficient panchromatic photoinitiators in radical polymerization reactions
  31. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples
  32. 2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3H-naphtho[1,2-e][1,3,2]oxazaborinin-2-ium-3-uide
  33. 2,2-Difluoro-3-(4-fluorophenyl)-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide
  34. Double benzannulation of fluorophore may tune its properties
  35. Two-photon absorption in difluoroborate amide-derivatives
  36. Bis(urea) derivative interacts preferably by one side only
  37. Halogen bonded amide based on diazine
  38. N,N′-Bis(pyridin-2-yl)octanediamide
  39. N-(Pyrazin-2-yl)adamantane-1-carboxamide
  40. Synthesis and Photophysical Properties of Novel Donor–Acceptor N-(Pyridin-2-yl)-Substituted Benzo(thio)amides and Their Difluoroboranyl Derivatives
  41. Tuning the Electronic Properties of the Dative N−B Bond with Associated O−B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement
  42. The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group
  43. Substituent driven photoisomerization
  44. Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case
  45. Toward Fully Nonempirical Simulations of Optical Band Shapes of Molecules in Solution: A Case Study of Heterocyclic Ketoimine Difluoroborates
  46. Use of time-resolved fluorescence spectroscopy to evaluate diagnostic value of collagen degradation products
  47. Benzoannulation influences photo physical properties of BF2-carrying molecules
  48. Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamide
  49. Comment of paper on association by hydrogen bonding
  50. Association of 2-acylaminopyridines and benzoic acids. Steric and electronic substituent effect studied by XRD, solution and solid-state NMR and calculations
  51. Substituent effects on the photophysical properties of fluorescent 2-benzoylmethylenequinoline difluoroboranes: A combined experimental and quantum chemical study
  52. N-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamiden-hexane 0.25-solvate hemihydrate
  53. 6-Amino-2-(pivaloylamino)pyridinium benzoate
  54. Molecule's isomerization controlled by the substituent in the counterpart
  55. 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
  56. ChemInform Abstract:15N NMR Studies of Tautomerism
  57. Let's tune fluorescence
  58. 2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies
  59. Tautomerism vs 15N NMR
  60. Two (E)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols
  61. Noncovalent interactions between classical supramolecular synthons in solution: Hydrogen bonding in hindered 2-acylaminopyridine/2-pyridone associates
  62. 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
  63. NMR crystallography of 2-acylamino-6-[1H]-pyridones: Solid-state NMR, GIPAW computational, and single crystal X-ray diffraction studies
  64. N2,N2,N6,N6-Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine
  65. 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
  66. Proton transfer reaction and intermolecular interactions in associates of 2,5-dihydroxy-1,8-naphthyridine
  67. Intermolecular steric hindrance in 7-acylamino-[1H]-2-oxo-1,8-naphthyridines: NMR, ESI-MS, IR, and DFT calculation studies
  68. Benzoannulation vs. proton transfer
  69. The influence of secondary interactions on complex stability and double proton transfer reaction in 2-[1H]-pyridone/2-hydroxypyridine dimers
  70. 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
  71. Self-Organization of 2-Acylaminopyridines in the Solid State and in Solution
  72. NMR and quantum chemical studies on association of 2,6-bis(acylamino)pyridines with selected imides and 2,2′-dipyridylamine
  73. DFT studies on tautomeric preferences. Part 3: Proton transfer in 2-(8-acylquinolin-2-yl)-1,3-diones
  74. (Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-ylidene)propanoate
  75. ChemInform Abstract: 4-Fluoroanilines: Synthesis and Decomposition.
  76. Systematic investigation of 2,7-dihydroxy-1,8-naphthyridine dimerization – secondary interactions and tautomeric preferences calculations
  77. Secondary interactions as driving force in heterocomplex formation of 2,7-disubstituted-1,8-naphthyridines: Quantum chemical, NMR and mass spectral investigations
  78. (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
  79. Effect of vinylene and 1,4-phenylene spacers on efficiency of the ground-state intramolecular charge-transfer in enlarged 4-dimethylamino-1-methylpyridinium cations
  80. Electron ionization mass spectra and tautomerism of substituted 2-phenacylquinolines
  81. N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide
  82. Tautomeric preferences of phthalones and related compounds
  83. NMR Spectra of Anilines
  84. GIAO/DFT13C NMR Chemical Shifts of 1,3,4-Thiadiazoles
  85. Influence of Bond Fixation in Benzo-AnnulatedN-Salicylideneanilines and Theirortho-C(O)X Derivatives (X = CH3, NH2, OCH3) on Tautomeric Equilibria in Solution
  86. Bischromophoric styrylpyridinium dyes
  87. 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?
  88. Effect of π-Electron Delocalization on Tautomeric Equilibria – Benzoannulated 2-Phenacylpyridines
  89. Tautomeric Equilibria and Pi Electron Delocalization for Some MonohydroxyarenesQuantum Chemical Studies†
  90. The experimental studies on the determination of the ground and excited state dipole moments of some hemicyanine dyes
  91. Electron Ionization Mass Spectra and Tautomerism of 2-Phenacylpyridines
  92. Tautomeric Equilibria in Relation to Pi-Electron Delocalization
  93. Tautomeric Equilibria in Relation to Pi-Electron Delocalization
  94. Tautomeric equilibria, H-bonding and π-electron delocalization ino-nitrosophenol. A B3LYP/6-311 + G(2df,2p) study
  95. Complex tauto- and rotamerism of 2-(R-phenyl)-1,2,3,4-tetrahydroquinazolines
  96. 13C-NMR Based Evaluation of the Electronic and Steric Interactions in Aromatic Amines
  97. (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.
  98. Identity Double-Proton Transfer in (3Z)-3-Hydroxy-1,4-di(quinolin-2-yl)but-3-en-2-one
  99. Structural characterization of β-2′-pyridylaminocrotonoyl-2-pyridylamide by ESI-MS, NMR, single crystal X-ray analysis and ab initio methods
  100. STABILITY OF THE DIMERS OF AZA ANALOGS OF 2-FORMYLPYRROLE. CONJUGATION VERSUS HYDROGEN BONDING
  101. (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
  102. Predominance of 2‐arylhydrazones of 1,3‐diphenylpropane‐1,2,3‐trione over its proton‐transfer products
  103. Predominance of 2‐arylhydrazones of 1,3‐diphenylpropane‐1,2,3‐trione over its proton‐transfer products
  104. 4-Fluoroanilines: synthesis and decomposition
  105. GIAO/DFT calculated chemical shifts of tautomeric species. 2-Phenacylpyridines and (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines
  106. Long-range substituent and temperature effect on prototropic tautomerism in 2-(acylmethyl)quinolines
  107. ChemInform Abstract: Substituent and Temperature Controlled Tautomerism: Multinuclear Magnetic Resonance, X‐Ray, and Theoretical Studies on 2‐Phenacylquinolines.
  108. N-methyl-1,2-dihydro-2-benzoylmethylenequinolines: configurational dissimilarity with unmethylated congeners
  109. NMR spectral and X-ray structural investigation of 1,3-bis(2-quinolyl)-2-(p-chlorophenyl)-2-propanol
  110. Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
  111. Substituent and temperature controlled tautomerism of 2-phenacylpyridine: the hydrogen bond as a configurational lock of (Z )-2-(2-hydroxy-2-phenylvinyl)pyridine
  112. Predominance of inductive over resonance substituent effect on33S NMR chemical shifts of 4-substituted phenyl-4′-methylphenacyl sulfones
  113. SYNTHESIS AND NMR SPECTRA OF 2-METHYL-2-QUINOLIN-2-YL-PROPIOPHENONES
  114. Predominance of resonance over polar effects on1H,13C and15N NMR substituent chemical shifts inN-arylglycines
  115. NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques withz-gradient selection: correlation of NMR parameters with substituent constants
  116. NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques with z-gradient selection: correlation of NMR parameters with substituent constants