PHOTOCOLOURATION OF 2,4,4,6-TETRAARYL-1,4-DIHYDROPYRIDINES - A SEMIEMPIRICAL QUANTUM-CHEMICAL STUDY

被引：9

作者：

BOHM, S ^{[1
]}

HOCEK, M ^{[1
]}

NESPUREK, S ^{[1
]}

KUTHAN, J ^{[1
]}

机构：

[1] ACAD SCI CZECH REPUBL,INST MACROMOLEC CHEM,CS-16206 PRAGUE 6,CZECH REPUBLIC

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 1994年 / 59卷 / 02期

关键词：

D O I：

10.1135/cccc19940262

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular geometries of 1,4-dihydropyridines Ia, Ib and their possible photoisomers IIa - Va and IIb - Vb were optimized by the PM3 method. The electronic absorption spectra were calculated by the CNDO/S-CI procedure and compared with the experimental spectroscopic data. A probable mechanism of the photocolouration of Ia, Ib, caused by sunlight or UV illumination, is proposed, and structures IIIa, IIIb are assigned to violet or green coloured species.

引用

页码：262 / 272

页数：11

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