共 21 条
[21]
TURNER DW, 1970, T R SOC LONDON A, V7, P268
A THEORETICAL-STUDY ON THE IONIC STATES WITH ANALYSIS OF VIBRATIONAL LEVELS OF THE PHOTOELECTRON-SPECTRUM OF KETENE (C2H2O AND C2D2O)
被引：9
作者：
TAKESHITA, K
机构：
[1] Faculty of Bioindustry, Tokyo University of Agriculture, Abashiri
关键词：
D O I：
10.1063/1.462207
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 are performed to study the molecular equilibrium structure and the vibrational levels of the low-lying five ionic states, 1 2B1, 1 (2)2B2, 2 2B1, 2 2B2, and 2A1 of ketene (C2H2O and C2D2O.) The theoretical intensity curve obtained by the Franck-Condon factors for the ionization transitions are also reported and compared with the photoelectron spectrum of C2H2O and C2D2O. A number of new assignments of the vibrational levels of the photoelectron spectrum are proposed.
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页码：1199 / 1209
页数：11
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