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Citation: Cao Yang, Zhao Bo, Zuo Tao. Theoretical Study on the Molecular Nonlinear Optical Properties of Substituted Cinnamic Acid Derivatives[J]. Acta Physico-Chimica Sinica, ;1996, 12(07): 594-597. doi: 10.3866/PKU.WHXB19960704 shu

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

1.
Department of Chemistry,Suzhou University,Suzhou 215006

Received Date: 11 December 1995
Available Online: 15 July 1996

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.
- Second-order nonlinear optical polarizability,
- Cinnamic acid compounds,
- Conjugated system
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