Theoretical calculations of the nonlinear second-order optical susceptibilities of some substituted benzenes

Acta Chimica Sinica ›› 1991, Vol. 49 ›› Issue (7): 644-648. Previous Articles Next Articles

Original Articles

取代苯分子二阶非线性光学系数的理论计算

高旭岭;封继康;李君;费浩生;孙家钟

吉林大学化学系;吉林大学理论化学研究所

发布日期:1991-07-15

Theoretical calculations of the nonlinear second-order optical susceptibilities of some substituted benzenes

GAO XULING;FENG JIKANG;LI JUN;FEI HAOSHENG;SUN JIAZHONG

Published:1991-07-15

Abstract

Using INDO/CI series methods, the 2nd-order nonlinear optical susceptibilities bijk of substituted benzenes, such as: aniline, nitrobenzene, o-nitroaniline, m-nitroaniline, p-nitroaniline and 2,4-dinitroaniline were studied. The agreement between theory and experiment is quite satisfactory. The bx depends on the quantity and possibility of the intramol. donor-acceptor charge transfer.

Key words: BENZAMINE P, COEFFICIENTS, CALCULATION, QUANTUM CHEMISTRY, NITROBENZENE P, TWO-ORDER, NON LINEAR OPTICS, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND, NON-LINEAR MATERIALS

CLC Number:

O641

Cite this article

GAO XULING;FENG JIKANG;LI JUN;FEI HAOSHENG;SUN JIAZHONG. Theoretical calculations of the nonlinear second-order optical susceptibilities of some substituted benzenes[J]. Acta Chimica Sinica, 1991, 49(7): 644-648.

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取代苯分子二阶非线性光学系数的理论计算

Theoretical calculations of the nonlinear second-order optical susceptibilities of some substituted benzenes

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