Vibronic coupling and valence mixing in the 1s → Rydberg excited states of C2H2 in comparison with N2 and CO

被引：25

作者：

Adachi, J

Kosugi, N ^{[1
]}

Shigemasa, E

Yagishita, A

机构：

[1] Inst Mol Sci, Okazaki, Aichi 4448585, Japan

[2] Inst Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 309卷 / 5-6期

基金：

日本学术振兴会;

关键词：

D O I：

10.1016/S0009-2614(99)00721-6

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：

Angle-resolved ion-yield spectra are reported for the Cls --> Rydberg excitations of linear acetylene C2H2 in comparison with N-2 and CO. The 3 sigma(u)* valence state is observed in the 3s sigma(g) Rydberg region with no mixing. The 3p sigma(u) state is found in the same region as the Cls sigma(g) --> 3p pi(u) state, which shows only totally symmetric vibrations. This is the first to observe that the Rydberg state in C2H2 keeps gerade and ungerade symmetries without vibronic coupling through antisymmetric stretching vibrations related to core-hole localization. On the other hand, the lowest 1 pi(g)* valence state induces vibronic coupling through bending vibrations in the 3 sigma(u)* and 3s sigma(g) states. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：427 / 433

页数：7

共 28 条

[1] Renner-teller splitting in the C1s->pi(*) excited states of CS2, OCS, and CO2 [J].