ON THE SATELLITE STRUCTURE ACCOMPANYING THE IONIZATION OF BENZENE

被引：26

作者：

WEIKERT, HG

CEDERBAUM, LS

机构：

[1] Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, D-69120 Heidelberg

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 237卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(95)00303-L

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 satellite structure accompanying the valence-shell ionization of benzene is investigated by means of the many-body Green function method. The results are discussed and compared with experiment and other calculations. Interesting satellite lines are found in the outer-valence region of the ionization spectrum. In particular, the prominent intense low-lying pi-pi* shake-up state, 1e(1g)(-2)1e(2u), (2)A(2u), which has recently been observed in the Penning ionization electron spectrum is well reproduced by the present calculations. A pronounced splitting of the spectral intensity is predicted for the inner-valence ionizations, implying a complete breakdown of the molecular orbital picture of ionization.

引用

页码：1 / 6

页数：6

共 32 条

[1]

Abrikosov A. A., 1963, METHODS QUANTUM FIEL

[2]

[Anonymous], 1977, ADV CHEM PHYS, DOI DOI 10.1002/9780470142554.ch4

[3] Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene [J].