Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (07): 594-597.doi: 10.3866/PKU.WHXB19960704

• ARTICLE • Previous Articles     Next Articles

Theoretical Study on the Molecular Nonlinear Optical Properties of Substituted Cinnamic Acid Derivatives

Cao Yang,Zhao Bo,Zuo Tao   

  1. Department of Chemistry,Suzhou University,Suzhou 215006
  • Received:1995-12-11 Revised:1996-01-30 Published:1996-07-15
  • Contact: Cao Yang

Abstract:

 In this paper, we have calculated the second-order nonlinear optical polarizabilities of a series of substituted cinnamic acid derivatives using the CNDO/S-CI quantum chemical calculation program and studied the structure dependence of their nonlinear optical properties. The results revealled that this kind of compounds have fairly large second-order polarizabilities. And we fourld that there is a close relationship between the structure and the values of β. We hope that our study will be useful for the experiments and further researches in this interesting field.

Key words: Second-order nonlinear optical polarizability, Cinnamic acid compounds, Conjugated system