Vibronic intensity borrowing and the isotope dependence of vibronic structure

被引:35
作者
Orr, G. [1 ]
Small, G. J.
机构
[1] Iowa State Univ, Ames Lab, USAEC, Ames, IA 50010 USA
[2] Iowa State Univ, Dept Chem, Ames, IA 50010 USA
关键词
D O I
10.1016/0301-0104(73)80061-8
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
In recent years it has become clear that the conventional Herzberg-Teller theory is not capable of explaining the breakdown in intensity mirror symmetry between the "forbidden" vibronic structure in absorption and fluorescence spectra of many polyatomic molecules. Furthermore, in a number of systems the isotope dependence of vibronic intensitles predicted by the Herzberg-Teller theory is not obeyed. A theory of vibronic structure is presented which includes the so-called Born-Oppenheimer vibronic coupling and the Duschinsky and isotope dynamic mixing adiabatic corrections to the conventional Herzberg-Teller theory. The results of illustration calculations for a three-mode system axe presented and discussed.
引用
收藏
页码:60 / 68
页数:9
相关论文
共 10 条