苯酚光解离过程中从πσ*态消除氢原子。

H atom elimination from the pi sigma* state in the photodissociation of phenol.

作者信息

Tseng Chien-Ming, Lee Yuan T, Ni Chi-Kung

机构信息

Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei, Taiwan.

出版信息

J Chem Phys. 2004 Aug 8;121(6):2459-61. doi: 10.1063/1.1781153.

DOI:10.1063/1.1781153

PMID:15281841

Abstract

Photodissociation of phenol at 248 nm was studied using multimass ion imaging techniques. Photofragment translational energy distribution of H atom elimination was measured. The results demonstrate that H atom elimination occurs on the pi sigma(*) excited state which has repulsive potential-energy functions with respect to the stretching of OH bond. It supports the recent ab initio calculation.

摘要

利用多质量离子成像技术研究了苯酚在248纳米处的光解离。测量了氢原子消除的光碎片平动能分布。结果表明，氢原子消除发生在πσ(*)激发态，该激发态相对于OH键的拉伸具有排斥性势能函数。这支持了最近的从头算计算。