Studies on Electronic Spectra and Second-order Nonlinear Optical Property of Substituted fulleropyrrolidine Derivatives

Chem. J. Chinese Universities ›› 2002, Vol. 23 ›› Issue (3): 444.

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Studies on Electronic Spectra and Second-order Nonlinear Optical Property of Substituted fulleropyrrolidine Derivatives

KAN Yu-He^1,2, SU Zhong-Min^1,3, SUN Shi-Ling¹, YANG Yan-Jie², ZHU Yu-Lan², REN Ai-Min³, FENG Ji-Kang³

1. Institute of Functional Material Chemistry, College of Chemistry, Northeast Normal University, Changchun 130024, China;
2. Department of Chemistry, Science and Engineering College, Yanbian University, Yanji 133002, China;
3. State Key Laboratory of Theoretical and Computional Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China

Received:2000-11-17 Online:2002-03-24 Published:2002-03-24

Abstract

Abstract: The electronic spectra of fulleropyrrolidine derivatives were studied by using INDO/CImethods on the basis of the optimized geometrics with AM1 method. It was shown that the exception of the absorption was beyond 400 nm. The results are in good accordance with the experiment results. The nonlinear second-order optical susceptibilities β_μ of the molecule were calculated according to the sum-over states(SOS) formalism. The conclusions show that these fulleropyrrolidines are good candidates with large β_μ values, between -30.14×10^-30 and -65.49×10^-30 esu.

Key words: Fulleropyrrolidine, Electronic spectra, Nonlinear second-order optical property, INDO/CI

CLC Number:

O644

TrendMD:

KAN Yu-He, SU Zhong-Min, SUN Shi-Ling, YANG Yan-Jie, ZHU Yu-Lan, REN Ai-Min, FENG Ji-Kang . Studies on Electronic Spectra and Second-order Nonlinear Optical Property of Substituted fulleropyrrolidine Derivatives[J]. Chem. J. Chinese Universities, 2002, 23(3): 444.

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Studies on Electronic Spectra and Second-order Nonlinear Optical Property of Substituted fulleropyrrolidine Derivatives

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