VIBRONIC COUPLING AND ITS EFFECT ON DIPOLE-MOMENTS IN AROMATIC ALDEHYDE TRIPLET-STATES

被引：19

作者：

GOODMAN, L

OZKAN, I

机构：

[1] Department of Chemistry, Rutgers, The State University of New Jersey, New Brunswick

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 61卷 / 02期

关键词：

D O I：

10.1016/0009-2614(79)80630-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A vibronic coupling model involving aldehyde-torsion (v36), or hydrogen-wag (v26) coupling modes and carbonyl-stretch (v7), or in-plane wag (v25) Franck-Condon modes is applied to the interaction between aromatic aldehyde 3nπ* and 3ππ* states. Exact solutions predict (1) v36 induces strong breakdown of the Born-Oppenheimer approximation for < 500 cm-1 triplet state energy gap, (2) v26 induces only weak coupling, (3) a large effect on excited origin dipole moments for < 200 cm-1 gaps. © 1979.

引用

页码：216 / 222

页数：7

共 18 条

[1] PMDR STUDIES OF MAGNETIC AND DYNAMIC PROPERTIES OF LOWEST EXCITED TRIPLET-STATES OF AROMATIC CARBONYL MOLECULES - ACETOPHENONE, BENZALDEHYDE AND THEIR DERIVATIVES [J].