A THEORETICAL-STUDY ON IONIZATION OF ETHYLENE WITH ANALYSIS OF VIBRATIONAL STRUCTURE OF THE PHOTOELECTRON-SPECTRA

被引：17

作者：

TAKESHITA, K ^{[1
]}

机构：

[1] HOKKAIDO UNIV,FAC SCI,DEPT CHEM,SAPPORO,HOKKAIDO 060,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 95卷 / 03期

关键词：

D O I：

10.1063/1.461033

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：

Ab initio calculations have been performed to study the vibrational levels of the low-lying ionic states, 2B3u, 2B3g, 2A(g), 2B2u, and 2B1u of ethylene. The equilibrium molecular structure and vibrational modes of these states are presented. The theoretical ionization intensity curve including the vibrational structure is also presented and compared with the photoelectron spectra of C2H4 and C2D4. A number of new assignments of the photoelectron spectra are proposed.

引用

页码：1838 / 1846

页数：9

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