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Proceedings Paper

Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid
Author(s): O. V. Vusovich; O. N. Tchaikovskaya; I. V. Sokolova; N. Y. Vasil'eva
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Paper Abstract

The paper describes an analysis of possible ways of deactivation of electronically excited states of 4-hydroxy- 3-methoxy-benzoic acid (vanillic acid) and its protolytic forms with the use of quantum-chemical methods INDO/S (intermediate neglect of differential overlap with a spectroscopic parameterization) and MEP (molecular electrostatic potential). The ratio of radiative and non-radiative deactivation channels of the electronic excitation energy is established. The rate constants of photophysical processes (internal and intercombination conversions) occurring after the absorption of light in these forms are evaluated.

Paper Details

Date Published: 15 December 2015
PDF: 7 pages
Proc. SPIE 9810, International Conference on Atomic and Molecular Pulsed Lasers XII, 98100F (15 December 2015); doi: 10.1117/12.2225721
Show Author Affiliations
O. V. Vusovich, National Research Tomsk State Univ. (Russian Federation)
National Research Tomsk Polytechnic Univ. (Russian Federation)
O. N. Tchaikovskaya, National Research Tomsk State Univ. (Russian Federation)
I. V. Sokolova, National Research Tomsk State Univ. (Russian Federation)
N. Y. Vasil'eva, Tomsk College of Information Technology (Russian Federation)


Published in SPIE Proceedings Vol. 9810:
International Conference on Atomic and Molecular Pulsed Lasers XII
Victor F. Tarasenko; Andrey M. Kabanov; Andrey M. Kabanov, Editor(s)

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