theoretical study on the structure, electronic spectra  and nonlinear second-order optical properties of C~6~0-TTF  cyclohexene-fused dyads

Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (12): 1582-1588. Previous Articles Next Articles

Original Articles

C~6~0-TTF及其衍生物的二阶非线性光学性质的理论研究

张锁秦;封继康;任爱民;付伟;李耀先

吉林大学理论化学研究所.长春(130023);吉林大学理论化学计算国家重点实验室;吉林大学超分子结构及谱学开放实验室

发布日期:2000-12-15

theoretical study on the structure, electronic spectra and nonlinear second-order optical properties of C~6~0-TTF cyclohexene-fused dyads

Zhang Suoqin;Feng Jikang;Ren Aimin;Fu Wei;Li Yaoxian

Jilin Univ, Inst Theoret Chem.Changchun(130023)

Published:2000-12-15

Abstract

A program for calculating nonlinear second-order optical susceptibilities β~i~j~k and β~μ using the ZINDO methods based on the Sum-Over-states (SOS) formula has been devised. A total of seven C~6~0-TTF cyclohexene-fused dyads were investigated. the stable structure, electronic spectra and nonlinear second-order optical property were studied. The results show that the calculated electronic spectra of the studied molecules are consistent well with the experimental ones. It is concluded that the substitutes have a great influence on the nonlinear second-order optical properties of studied molecules. And the calculated results have been explained.

Key words: FULLERENES, NON LINEAR OPTICS, OPTICAL PROPERTIES, CHARGE TRANSFER

CLC Number:

O644

Cite this article

Zhang Suoqin;Feng Jikang;Ren Aimin;Fu Wei;Li Yaoxian. theoretical study on the structure, electronic spectra and nonlinear second-order optical properties of C~6~0-TTF cyclohexene-fused dyads[J]. Acta Chimica Sinica, 2000, 58(12): 1582-1588.

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C~6~0-TTF及其衍生物的二阶非线性光学性质的理论研究

theoretical study on the structure, electronic spectra and nonlinear second-order optical properties of C~6~0-TTF cyclohexene-fused dyads

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C~6~0-TTF及其衍生物的二阶非线性光学性质的理 论研究

theoretical study on the structure, electronic spectra and nonlinear second-order optical properties of C~6~0-TTF cyclohexene-fused dyads

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Knowledge

Abstract

Cite this article

share this article

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Related Articles 15

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C~6~0-TTF及其衍生物的二阶非线性光学性质的理论研究