Theoretical study on second-order nonlinear optical properties of unsymmetric bis(phenylethynyl) benzene series derivatives

被引：0

作者：

Fu, W ^{[1
]}

Feng, JK ^{[1
]}

Yu, KQ ^{[1
]}

Ren, AM ^{[1
]}

Cui, M ^{[1
]}

Li, YX ^{[1
]}

Sun, CC ^{[1
]}

机构：

[1] Jilin Univ, Dept Chem, Inst Theoret Chem, Natl Lab Theoret & Computat Chem, Changchun 130023, Jilin, Peoples R China

来源：

CHINESE JOURNAL OF CHEMISTRY | 2000年 / 18卷 / 02期

关键词：

unsymmetric bis(phenylethynyl) benzene series; derivatives; second-order nonlinear optical susceptibility; ZINDO-SOS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

On the basis of ZINDO methods, according to the sum-over-states (SOS) expression, the program for the calculation of the second-order nonlinear optical susceptibilities beta(ijk) and beta(mu) of molecules was devised, and the structures and nonlinear optical properties of unsymmetric bis(phenylethynyl) benzene series derivatives were studied. The influence of the molecular conjugated chain lengths, the donor and the acceptor on beta(mu) was examined.

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页码：175 / 181

页数：7

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