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Citation: Feng Ji-Kang, Gao Xu-Ling, Sun Jia-Zhong. The Dispersions of the Second-Order Nonlinear Susceptibilities of Some Organic Molecules[J]. Acta Physico-Chimica Sinica, ;1992, 8(02): 156-161. doi: 10.3866/PKU.WHXB19920204 shu

The Dispersions of the Second-Order Nonlinear Susceptibilities of Some Organic Molecules

1.
Chemistry Department and Institute of Theoretical Chemistry Jilin University, Changchun 130023

Received Date: 27 August 1990
Available Online: 15 April 1992

At the level of INDO/CI methods, using the program for calculations of the second-order nonlinear susceptibilites (β_(ijk)) written by ourselves, we calculated the β_(ijk) of aniline, nitrobenzene, ρ-nitroaniline and 4-nitro-4′-aminostilbene and inves-tigated dependence of β_(ijk) on LASER frequencies. It is shown that the intramolecular charge transfer is the origin of the nonlinear optics phenomenon and the LASER field plays an important role to the magnitude and direction of the second-order nonlinear optics susceptibility. When the LASER frequency is close to the molecular resonance frequency, the second-order nonlinear susceptibility becomes larger, before and after the resonance freguence, β_(ijk) changes its sign and the Kleinman symmetry begins to break down.
- 4-nitro-4 4aminostilbene; Second-order nonlinear susceptibility; Dispersion
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