Theoretical Studies of Molecules with Nonlinear Optical Third-order Susceptibilities on Pull-push Multi-cycle Electro-optical Polymer Intermediates Including Thiophene Ring

Chem. J. Chinese Universities ›› 2000, Vol. 21 ›› Issue (5): 771.

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Theoretical Studies of Molecules with Nonlinear Optical Third-order Susceptibilities on Pull-push Multi-cycle Electro-optical Polymer Intermediates Including Thiophene Ring

FU Wei¹, FENG Ji-Kang¹, REN Ai-Min¹, CUI Meng¹, JIN Hong-Wei¹, WANG Jiang-Hong², SHEN Yu-Quan²

1. Institute of Theoretical Chemistry, National Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China;
2. Institute of Photographic Chemistry, Academia Sinica, Beijing 100101, China

Received:1999-03-15 Online:2000-05-24 Published:2000-05-24

Abstract

Abstract: On the basis of INDO/SCImethod, using sum-over-states(SOS) formula, the nonlinear thirdorder optical susceptibilities γ(-ω;ω,-ω,ω) and γ(0; 0, 0, 0) of a series of novel pull-push electro- optical polymer intermediates have been calculated. The effects of the molecular backbone, donor substituents, accepted substituents, the number of thiophene-rings (namely the conjugated molecular length dependence) and the frequency of external field on γ have been studied. When the molecular chain is not too long, γ(0; 0, 0, 0) varies as the 2. 69 power of length.

Key words: Nonlinear optical third-order susceptibilities, Pull-push multi-cycle electro-optical polymers, Molecular design

CLC Number:

O644

TrendMD:

FU Wei, FENG Ji-Kang, REN Ai-Min, CUI Meng, JIN Hong-Wei, WANG Jiang-Hong, SHEN Yu-Quan. Theoretical Studies of Molecules with Nonlinear Optical Third-order Susceptibilities on Pull-push Multi-cycle Electro-optical Polymer Intermediates Including Thiophene Ring[J]. Chem. J. Chinese Universities, 2000, 21(5): 771.

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Theoretical Studies of Molecules with Nonlinear Optical Third-order Susceptibilities on Pull-push Multi-cycle Electro-optical Polymer Intermediates Including Thiophene Ring

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