Journal ArticleDOI
Evidence for Resonance-Assisted Hydrogen Bonding from Crystal-Structure Correlations on the Enol Form of the β-Diketone Fragment
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This article is published in ChemInform.The article was published on 1989-05-16. It has received 58 citations till now. The article focuses on the topics: Enol & Resonance.read more
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Excited state dynamics of bis-dehydroxycurcumin tert-butyl ester, a diketo-shifted derivative of the photosensitizer curcumin.
TL;DR: The tautomeric equilibrium of K2T23 between the keto-enolic and diketo conformers is assessed in the ground state in several organic solvents by UV-visible absorption and by nuclear magnetic resonance and the same tautomersic equilibrium is probed in the excited-state in the same environments by means of steady-state fluorescence and time-correlated single-photon counting measurements.
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A detail investigation of synergistic effects between the intramolecular hydrogen bond and π-electron delocalization in 3-hydroxy prop-2-en thial and its derivatives
TL;DR: In this article, a detailed investigation of synergistic effects between the intramolecular hydrogen bond (IMHB) and π-electron delocalization (π-ED) of 3-hydroxy prop-2-en thial and its halogenated derivatives was performed.
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Comparisons between Crystallography Data and Theoretical Parameters and the Formation of Intramolecular Hydrogen Bonds: Benznidazole
TL;DR: The conformational preferences of benznidazole were examined through the application of DFT, PCM and QTAIM calculations, whose results were compared with crystallography data.
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Arrangement and nature of intermolecular hydrogen bonding in complex biomolecular systems: modeling the vitamin C---L-alanine interaction
TL;DR: In this article, a theoretical study on the nature of hydrogen bonding of vitamin C in biological systems was performed at the MP2/6-311++G(d,p) level.
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Intramolecular hydrogen bond and proton transfer in 3-(2-benzimidazolylthio)-2,4-pentanedione. Crystallographic evidence and theoretical calculations
TL;DR: The pentanedione pseudoring was solved by direct methods and refined by a full-matrix least squares procedure to final R (all)=0.0682 for 2853 unique diffractions merged from 24459 measured at 183(2)K as discussed by the authors.