Theoretical Study on Stabilization and Nonlinear Optical Properties of Configuration Isomer of Schiff Base of the Condensation of Salicylaldehyde with Aniline

Chem. J. Chinese Universities ›› 2001, Vol. 22 ›› Issue (9): 1551.

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Theoretical Study on Stabilization and Nonlinear Optical Properties of Configuration Isomer of Schiff Base of the Condensation of Salicylaldehyde with Aniline

LIN Bin-Bin¹, QIU Yong-Qing¹, SU Zhong-Min^1,2, SUN Shi-Ling¹, FENG Ji-Kang²

1. Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024;
2. Institute of Theoretical Chemistry, National Key Laboratory of Theoreticaland Computational Chemistry, Jilin University, Changchun 130023, China

Received:2000-09-15 Online:2001-09-24 Published:2001-09-24

Abstract

Abstract: The energy, structure and nonlinear optical susceptibilities of stable configuration several isomers of were studied by quantum chemical finite field method and semiempirical method. The effect of hydrogen bond and process of hydrogen transfer on stability of the system and nonlinear optical property was discussed. On the basis of those metioned above, the nonlinear optical susceptibilities obtained in this pater were compared with those oblained by ab initio HFmethod. As a result, the shiff base from condensation between salicylaldehyde and aniline bears a better nonlinear optical property, especially the second nonlinear optical property. This kind of compounds will become possibly a nicer optical material.

Key words: Quantum chemical calculation method, Schiff base from the condensation of salicylaldehyde with amiline, Second nonlinear optics

CLC Number:

O641

TrendMD:

LIN Bin-Bin, QIU Yong-Qing, SU Zhong-Min, SUN Shi-Ling, FENG Ji-Kang . Theoretical Study on Stabilization and Nonlinear Optical Properties of Configuration Isomer of Schiff Base of the Condensation of Salicylaldehyde with Aniline[J]. Chem. J. Chinese Universities, 2001, 22(9): 1551.

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Theoretical Study on Stabilization and Nonlinear Optical Properties of Configuration Isomer of Schiff Base of the Condensation of Salicylaldehyde with Aniline

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