MO-LCAO-CALCULATIONS ON SULFUR CONTAINING PI-ELECTRON SYSTEMS .16. PPP CALCULATIONS ON THIOCARBONIC ACID DERIVATIVES AS CROSSED CONJUGATED SYSTEMS

被引：21

作者：

FABIAN, J

机构：

来源：

THEORETICA CHIMICA ACTA | 1968年 / 12卷 / 03期

关键词：

D O I：

10.1007/BF00528267

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：

Semiempirical SCF-CI-calculations were extended to derivatives of thiocarbonic acid to explain specific properties of intense near UV-absorptions. Good agreement with experimental data was obtained although parameters were not adjusted. The change of electron distribution by optical excitation is more complicated as has been assumed for thiocarbonic acid as crossed conjugated systems. © 1968 Springer-Verlag.

引用

页码：200 / &

共 20 条

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