Distortion of Electronic Structure in Solvated Molecules: Tautomeric Equilibrium of 2-Pyridone and 2-Hydroxypridine in Water Studied by the RISM-SCF Method-Reference-Cited by-同舟云学术

Distortion of Electronic Structure in Solvated Molecules: Tautomeric Equilibrium of 2-Pyridone and 2-Hydroxypridine in Water Studied by the RISM-SCF Method

Published:2004-02-24 Issue:11 Volume:108 Page:2097-2102
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sato Hirofumi¹,Hirata Fumio¹,Sakaki Shigeyoshi¹

Affiliation:

1. Department of Molecular Engineering, Kyoto University, Yoshida, Kyoto, 606-8501, Japan, and Department of Theoretical Studies, Institute for Molecular Science and School of Mathematical and Physical Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp036988b

Reference38 articles.

1. Energies and alkylations of tautomeric heterocyclic compounds: old problems - new answers

2. Gas-phase tautomeric equilibrium of 2-pyridinone and 2-hydroxypyridine by microwave spectroscopy

3. Matrix isolation IR spectroscopy of tautomeric systems and its theoretical interpretation: 2-hydroxypyridine/2(1H)-pyridinone

4. Influence of excitation and solvation on the shift of tautomeric equilibrium. A quantum-mechanical study

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