Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion

被引：9

作者：

Mayer, G. V. ^{[1
]}

Plotnikov, V. G. ^{[2
]}

Artyukhov, V. Ya. ^{[1
]}

机构：

[1] Natl Res Tomsk State Univ, Tomsk, Russia

[2] Russian Acad Sci, Photochem Ctr, Moscow, Russia

来源：

RUSSIAN PHYSICS JOURNAL | 2016年 / 59卷 / 04期

关键词：

nonradiative conversion; electronically excited states; multiatomic organic molecules; quantum chemistry; INDO method; AROMATIC IMPURITY MOLECULES; RADIATIONLESS TRANSITIONS; POLYATOMIC-MOLECULES; INTERNAL-CONVERSION; DEGRADATION; EXCITATION; MECHANISM; ENERGY;

D O I：

10.1007/s11182-016-0801-0

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

引用

页码：513 / 524

页数：12

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[2]

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