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Molecular Orbitals and Nonlinear Optical Properties for Terephthal-Bis-(4-N,N-Diethylamino Aniline) Defuvatives

 

作者: Yuhei Mori,   Takashi Kurihara,   Toshikuni Kaino,   Satoru Tomaru,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  （Taylor Available online 1992）
卷期: Volume 217, issue 1  

页码: 53-58

 

ISSN:1058-725X

 

年代: 1992

 

DOI:10.1080/10587259208046876

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Molecular orbitals and third‐order susceptibility for terephthal‐bis‐(4‐N,N-diethylamino aniline) are calculated. The electronic mechanism is explained approximately by a three level system. The effect of orbital shape upon the susceptibility is analyzed. It is found that molecular orbital distortion due to substituted nitrogen atoms, enhances the transition moment of 1Bu – 2Ag and contributes to the third‐order susceptibility.

 

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