SYNTHESES WITH NITRILES .97. PUSH-PULL DIARYLBUTADIENES AND DIARYLPENTADIENES - KNOWN CHROMOPHORES - NEW FACTS

被引：12

作者：

DWORCZAK, R

FABIAN, WMF

PAWAR, BN

JUNEK, H

机构：

[1] Institute of Organic Chemistry, University of Graz, 8010 Graz

来源：

DYES AND PIGMENTS | 1995年 / 29卷 / 01期

关键词：

D O I：

10.1016/0143-7208(95)00028-E

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

The syntheses and properties of 1,1-dicyano-1,3-butadienes and 3-dicyanomethylene- 1,4-pentadienes, readily obtained by Knoevenagel condensations of benzaldehydes with alpha-methylbenzylidenemalononitriles and 1,1-dicyano-2-methyl-4-phenyl-1,3-butadienes, respectively, are described Color-constitution relationships and their possible use for nonlinear optics are discussed. Calculations of excitation energies using the PPP method are in good agreement with experimental values. In contrast, the INDO/S procedure only leads to a satisfactory correlation if solvent effects are included in the calculations.

引用

页码：65 / 76

页数：12

共 32 条

[1] COMPARISON OF THE INDO/S AND THE CNDO/S METHOD FOR THE ABSORPTION WAVELENGTH CALCULATION OF ORGANIC-DYES [J].