化学学报 ›› 2001, Vol. 59 ›› Issue (4): 508-515. 上一篇    下一篇

研究论文

不同类型二苯乙烯衍生物双光子吸收截面的理论研究

任爱民;封继康;郭景富   

  1. 吉林大学理论化学研究所.长春(130023);吉林大学理论化学计算国家重点实验 室;吉林大学超分子结构及谱学开放实验室;东北师范大学物理系
  • 发布日期:2001-04-15

Studies on Two-photon absorption cross-sections of different type stilbene derivatives

Ren Aimin;Feng Jikang;Guo Jingfu   

  1. Jilin Univ, Inst Theoret Chem.Changchun(130023)
  • Published:2001-04-15

用AM1和INDO/CI理论方法,系统研究不同类型二苯乙烯衍生物(D-π-D,A-π-A,D-π-A)的结构和电子光谱。在正确的UV-vis光谱基础上,预测了双光子吸收峰的位置,用SOS公式计算了三阶非线性光学系数及双光子吸收截面,并从微观上探讨了不同取代基对双光子吸收截面的影响。

关键词: 苯乙烯P, 电子光谱, 双光子吸收

The geometry, electronic structures and electronic spectra of different type stilbene derivatives (D-π-D,A-π-A,D-π-A) are systematically studied by AM1 and INDO/CI methods. On the basis of correct UV-vis spectra, the position and strength of two- photon absorption can be predicted. Nonlinear third- order optical susceptibilities and two-photon absorption cross-sections was calculated using a program of Sum-over-states expression complied by the present authors. The influence of various substituents on two- photon absorption cross-sections are discussed micromechanically.

Key words: STYRENE P, ELECTRONIC SPECTROSCOPY, TWO PHOTON ABSORPTION

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