Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (2): 184-188. Previous Articles     Next Articles

Original Articles

对称二苯乙烯衍生物非共振三阶非线性光学性质理论研究

刘春玲;查子忠;王骐;封继康;任爱民;孙家钟;苏忠民   

  1. 哈尔滨工业大学光电子技术研究所可调谐激光技术国家重点实验;室;吉林大学 理论化学研究所理论化学计算国家重点实验室;东北师范大学化学系功能材料化学 研究所
  • 发布日期:2000-02-15

Theoretical studies on non-resonant third-order nonlinear opticall properties of symmetrical stilbene derivatives

Liu Chunling;Cha Zizhong;Wang Qi;Feng Jikang;Ren Aimin;Sun Jiazhong;Su Zhongmin   

  • Published:2000-02-15

The geometry and UV-vis spectra of symmetrical stilbene derivatives are systematically studied by PM3 and INDO/CI methods. The calculated results are basically consistent with the experimental values. Furthermore, the non-resonant third-order nonlinear optical susceptibilities of molecules are calculated according to the sum- over-states (SOS) expression. The relationship between the structures and properties has been explained micromechanically by electronic delocalization effects.

Key words: STYRENE P, NON-LINEAR MATERIALS, OPTICAL PROPERTIES, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND, GEOMETRICAL ISOMERISM

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