Intramolecular interactions and deuteration effect in nonradiative deactivation of lowest triplet state of anthracene and naphthalene

被引：0
|
作者：
E. A. Gastilovich
L. V. Volkova
V. G. Klimenko
R. N. Nurmukhametov
机构：
[1] State Scientific Center of Russian Federation Karpov Institute of Physical Chemistry,
[2] Moscow State Technical University MAMI,undefined
来源：
Optics and Spectroscopy | 2011年 / 111卷
关键词：
Vibrational Mode; Compensation Effect; Intramolecular Interaction; Carbon Backbone; Deactivation Rate Constant;
D O I：
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中图分类号：
学科分类号：
摘要：
In the approximation of nonadiabatic interactions and considering all out-of-plane vibrational modes to be promoting ones, we calculate changes in the rate constants TsKdgs of the nonradiative degradation T1s ⇝ S0 of in-plane spin (s) triplet states as a result of the complete deuteration of anthracene and naphthalene molecules. We examine how the deuteration, the frequency factor, and the shape of promoting vibrational modes affect the squared matrix elements of both nonadiabatic coupling and adiabatic vibronically induced spin-orbit (VISO) coupling of electronic states. The compensation effect of spin-orbit interactions in structural elements of the carbon backbone of the anthracene molecule is ascertained.
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页码：14 / 24
页数：10
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