Quantum-chemical study of electronically excited states ofprotolytic forms of vanillic acid

Quantum-chemical study of electronically excited states ofprotolytic forms of vanillic acid

Bibliographische Detailangaben
Parent link:Proceedings of SPIE
Vol. 9810 : Atomic and Molecular Pulsed Lasers XII.— 2015.— [98100F, 7 p.]
Körperschaft: Национальный исследовательский Томский политехнический университет (ТПУ)
Weitere Verfasser: Vusovich O. V., Tchaikovskaya O. N., Sokolova I. V., Vasileva N. Y.
Zusammenfassung:Title screen
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.
Режим доступа: по договору с организацией-держателем ресурса
Veröffentlicht: 2015
Schriftenreihe:Photonics of Optical Materials, Optoelectronics
Schlagworte:
электронный ресурс
труды учёных ТПУ
винилиновая кислота
квантово-химические исследования
дезактивация
электронно-возбужденные состояния
протеолитические формы
Online-Zugang:http://dx.doi.org/10.1117/12.2225721
http://earchive.tpu.ru/handle/11683/18042
Format: Elektronisch Buchkapitel
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=646961

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