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化学学报
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化学学报 ›› 1992, Vol. 50 ›› Issue (2): 111-117. 上一篇    下一篇

研究论文

若干有机共轭分子三阶非线性光学系数和链长的关系

封继康;高旭岭;孙家钟   

  1. 吉林大学化学系;吉林大学理论化学研究所
  • 发布日期:1992-02-15

The length dependence of the nonlinear third-order optical susceptibilities of some conjugated organic molecules

FENG JIKANG;GAO XULING;SUN JIAZHONG   

  • Published:1992-02-15

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620

被引次数

21 | 7

我们以INDO/SDCI方法为基础, 利用完全态求和公式, 计算了多烯烃和联苯类分子的三阶非线性光学系数γ(0,0,0,0)和γ(-ω,ω, -ω,ω)。研究了γ与共轭分子链长的关系及其与外场频率的关系, 认为在链不十分长时γ与链长的三次方成正比。γ的大小微观上与电子的离域作用有关。

关键词: 多烯烃, 链长, 相互关系, 联苯, 光学系数, 共轭分子, 完全态求和公式

On the basis of INDO/SDCI method, using sum-over-states formula, the nonlinear 3rd-order optical susceptibilities g(0,0,0,0) and g(-w,-w,-w,-w) of polyenes and poly-p-phenyls were calculated The mol. length dependence and the effect of frequency of external field for g showed that g(0,0,0,0) were proportional to the third-power of the lengths, within a certain range, and was relevant to the electronic delocalization in micromechanism.

Key words: POLYENE, CHAIN LENGTH, CORELATIONS, XENENE, CONJUGATED MOLECULE

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