高等学校化学学报 ›› 1994, Vol. 15 ›› Issue (3): 423.

• 论文 • 上一篇    下一篇

酞菁锌的电子光谱和三阶非线性光学性质

封继康1, 李君1, 李志儒1, 孙家鍾2   

  1. 1. 吉林大学化学系, 长春, 130023;
    2. 吉林大学理论化学研究所
  • 收稿日期:1993-04-20 修回日期:1993-11-27 出版日期:1994-03-24 发布日期:1994-03-24
  • 通讯作者: 封继康,男,55岁,教授
  • 作者简介:封继康,男,55岁,教授
  • 基金资助:

    国家自然科学基金;吉林大学分子光谱与分子结构开放实验室资助

The Electronic Spectrum and Nonlinear Third-Order Optical Properties of Zinc Phthalocyanine

FENG Ji-Kang1, LI Jun1, LI Zhi-Ru1, SUN Jia-Zhong2   

  1. 1. Department of Chemistry, Jilin University, Changchun, 130023;
    2. Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1993-04-20 Revised:1993-11-27 Online:1994-03-24 Published:1994-03-24

摘要: 用INDO/SDCI方法研究了酞菁锌的电子结构、紫外-可见光谱、三阶非线性光学系数及其色散效应。发现由于酞菁锌中Zn(Ⅱ)对γ的贡献很小使酞菁锌与酞菁的〈γ〉几乎相等,根据我们的计算结果对此进行了合理的解释。

关键词: 酞菁锌, 电子光谱, 三阶非线性光学系数

Abstract: The electronic structure, UV-visible spectrum, nonlinear third-order optical susceptibility and its dispersion of zinc phthalocyanine(ZnPc)were studied by using INDO/SDCImethod.It was discoverd that the contribution of Zn(Ⅱ)to γ is very little in ZnPc, so the <γ> of ZnPc is almost equal to <γ> of H2Pc.It can be explained reasonable from our calculated results.

Key words: Zinc phthalocyanine, Electronic spectrum, Nonlinear third-order optical susceptibility

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