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