ORBITAL ALIGNMENT DURING CAGE-EXIT OF OPEN-SHELL PHOTOFRAGMENTS - F IN SOLID AR AND KR

被引:16
作者
KIZER, KS
APKARIAN, VA
机构
[1] Department of Chemistry, University of California, Irvine
关键词
D O I
10.1063/1.470631
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
The statistical theory for sudden cage-exit [J. Zoval and V. A. Apkarian, J. Phys. Chem, 98; 7945 (1994)] is extended to orbitally degenerate photofragments, specifically treating the case of F atoms in solid Ar and Kr. It is shown that the experimental energy-dependent, quantum yields of photodissociation of F-2 are only compatible with the p hole on the F atom being completely aligned parallel to the cage wall during the sudden exit. Although relative quantum;yields and energy thresholds are well predicted, the calculated absolute quantum yields are a factor of similar to 2 smaller than the experimental values. (C) 1995 American Institute of Physics.
引用
收藏
页码:4945 / 4952
页数:8
相关论文
共 47 条