Quantum-chemical study of electronically excited states ofprotolytic forms of vanillic acid / O. V. Vusovich [et al.]
Уровень набора: (RuTPU)RU\TPU\network\12028, Proceedings of SPIEЯзык: английский.Серия: Photonics of Optical Materials, OptoelectronicsРезюме или реферат: 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..Примечания о наличии в документе библиографии/указателя: [References: 11 tit.].Аудитория: .Тематика: электронный ресурс | труды учёных ТПУ | винилиновая кислота | квантово-химические исследования | дезактивация | электронно-возбужденные состояния | протеолитические формы Ресурсы он-лайн:Щелкните здесь для доступа в онлайн | Щелкните здесь для доступа в онлайнНет реальных экземпляров для этой записи
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[References: 11 tit.]
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.
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