MOLECULAR-GEOMETRY AND EXCITED ELECTRONIC STATES .24. THEORETICAL CONTRIBUTION TO THE S0 AND S1 MOLECULAR-STRUCTURE AND TO THE SP[-S0 ELECTRONIC SPECTRAL BEHAVIOR OF 1,4-DISTYRYL BENZENE AND OF ITS DOUBLY-CHARGED IONS

被引：2

作者：

GUSTAV, K

GEYER, A

机构：

来源：

JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG | 1992年 / 334卷 / 06期

关键词：

D O I：

10.1002/prac.19923340610

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

For selected configurations of 1,4-distyryl benzene and its doubly-charged ions the completely-optimized molecular geometries of the S0 and S1 states are presented. The structural peculiarities and differences are discussed. The S(p)<--S0 electronic spectral data calculated on this basis are given and compared with available experimental results.

引用

页码：505 / 508

页数：4