Quantum-chemical study of electronically excited states ofprotolytic forms of vanillic acid; Proceedings of SPIE; Vol. 9810 : Atomic and Molecular Pulsed Lasers XII
| Parent link: | Proceedings of SPIE Vol. 9810 : Atomic and Molecular Pulsed Lasers XII.— 2015.— [98100F, 7 p.] |
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| Autor Corporativo: | |
| Otros Autores: | , , , |
| Sumario: | 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 |
| Lenguaje: | inglés |
| Publicado: |
2015
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| Colección: | Photonics of Optical Materials, Optoelectronics |
| Materias: | |
| Acceso en línea: | http://dx.doi.org/10.1117/12.2225721 http://earchive.tpu.ru/handle/11683/18042 |
| Formato: | Electrónico Capítulo de libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=646961 |
| Sumario: | 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 |
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| DOI: | 10.1117/12.2225721 |