The Jahn-Teller and related effects in the cyclopentadienyl radical.: II.: Vibrational analysis of the (A)over-tilde 2A2"- (X)over-tilde 2E1" electronic transition

被引：69

作者：

Applegate, BE ^{[1
]}

Bezant, AJ ^{[1
]}

Miller, TA ^{[1
]}

机构：

[1] Ohio State Univ, Dept Chem, Laser Spect Facil, Columbus, OH 43210 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 11期

关键词：

D O I：

10.1063/1.1348276

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 laser excited, jet-cooled (A) over tilde (2)A(2)"-(X) over tilde E-2(1)" electronic spectrum of the cyclopentadienyl radical yields detailed information about the vibronic structure of both its (A) over tilde and (X) over tilde states. A straightforward assignment of the (A) over tilde vibronic structure is presented. The (X) over tilde state vibronic structure reveals a comprehensive picture of the Jahn-Teller distortion of its potential energy surface. The molecular parameters characterizing the Jahn-Teller interaction provide the stabilization energy and distorted geometry, which are compared to previous experimental and ab initio results. (C) 2001 American Institute of Physics.

引用

页码：4869 / 4882

页数：14

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