Theoretical study on the structure, electronic spectra and nonlinear second-order optical properties of a series of spiroconjugated molecules

被引：0
|
作者：
Zhang, SQ
Feng, JK [1 ]
Ren, AM
Li, YX
机构：
[1] Jilin Univ, Dept Chem, Changchun 130023, Peoples R China
[2] Jilin Univ, Inst Theoret Chem, Natl Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
[3] Jilin Univ, Minist Educ, Key Lab Supramol Struct & Spectroscopy, Changchun 130023, Peoples R China
来源：
ACTA CHIMICA SINICA | 2001年 / 59卷 / 12期
关键词：
spiroconjugation; 2,2 '- spirobiindan-1, 1 ', 3, 3 ' - tetraone; AM1; ZINDO; -; SOS; nonlinear second - order optical susceptibilities;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The geometry structure, electronic spectra and nonlinear second - order optical properties of 2,2'-spirobiindan - 1, 1', 3, 3' - tetraone and it's derivatives were investigated using AMI and ZINDO series method. The relationship between the nonlinear second - order optical properties of the studied molecules and their substitutes was studied. The calculated results show that these molecules have high transparence as well as large nonlinear second - order optical susceptibilities.
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页码：2105 / 2109
页数：5
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