Theoretical Studies of Nonlinear Second-Order Optical Properties of a Series of Molecules of Benzoquinone Derivatives

Chem. J. Chinese Universities ›› 1997, Vol. 18 ›› Issue (9): 1496.

• Articles • Previous Articles Next Articles

Theoretical Studies of Nonlinear Second-Order Optical Properties of a Series of Molecules of Benzoquinone Derivatives

FENG Ji-Kang¹, REN Ai-Min¹, LI Zhi-Ru¹, SUN Chia-Chung²

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

Received:1996-07-17 Online:1997-09-24 Published:1997-09-24

Abstract

Abstract: On the bases of AM1 and ZINDOmeth0ds, according to the sumover-states ex-pression, the nonlinear second-order optical susceptibilities β_ijk of a series of molecules ofbenzoquinone derivatives have been calculated. Systematic theoretical studies on the nonlin-ear optical second-order properties of benzoquinone series molecules have been performed, i.e. on the base of R'C₆H₄NHC₆O₂NH₂Rindependently changing Rand R', the rule of varia-tions of β has been examined. The regularity summarized from calculated results has beenexplained micromechanica1ly.

Key words: Benzoquinone derivative, Nonlinear second-order optical property, ZINDO-SOS

CLC Number:

O644

TrendMD:

FENG Ji-Kang, REN Ai-Min, LI Zhi-Ru, SUN Chia-Chung. Theoretical Studies of Nonlinear Second-Order Optical Properties of a Series of Molecules of Benzoquinone Derivatives[J]. Chem. J. Chinese Universities, 1997, 18(9): 1496.

[1]	YANG Zhao-Di, FENG Ji-Kang*, REN Ai-Min. Theoretical Study of One- and Two-photon Absorption Properties for Two Series of Star-burst-typed Pseudo Octupolar Molecules [J]. Chem. J. Chinese Universities, 2009, 30(7): 1417.
[2]	ZHANG Suo-Qin, FENG Ji-Kang, REN Ai-Min, LI Yao-Xian. A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of 2-Phenylbenzothiazole and It′s Derivatives [J]. Chem. J. Chinese Universities, 2002, 23(9): 1772.
[3]	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.
[4]	ZHANG Suo-Qin, FENG Ji-Kang, REN Ai-Min, LI Yao-Xian . Relationship Between the Molecular Structure of 2,2′-Spirobiindan-1,1′,3,3′-tetraone and It′s Derivatives and Their Nonlinear Second-order Optical Properties [J]. Chem. J. Chinese Universities, 2002, 23(10): 1965.
[5]	FENG Ji-Kang, JIN Hong-Wei, REN Ai-Min, Sun-Xiu-Yun, Fu-Wei . Theoretical Research on the Electronic Structure, Spectra and Nonlinear Second order Optical Property of C₅₉(C₆H₄OCH₃)N [J]. Chem. J. Chinese Universities, 2000, 21(3): 417.
[6]	FU Wei, FENG Ji-Kang, REN Ai-Min, CUI Meng, SUN Xiu-Yun, LI Yao-Xian. A Theoretical Studies On Nonlinear Second-order Optical Properties of p-Nitrobis (phenylethynyl)benzene Series Derivatives [J]. Chem. J. Chinese Universities, 1999, 20(9): 1424.
[7]	ZHANG Suo-Qin, FENG Ji-Kang, REN Ai-Min, SU Zhong-Min . A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Amino-and Nitro-substituted Pyridine Derivatives [J]. Chem. J. Chinese Universities, 1999, 20(11): 1754.
[8]	FENG Ji-Kang, GAO Xiao-Shun, XIAO Chang-Yong, SUN Chia-Chung. A Theoretical Study of Nonlinear Second-order Optical Properties of 5, 12-Dithia-7, 14-diaza-5, 7, 12, 14-tetrahydropentacene and Related Compounds [J]. Chem. J. Chinese Universities, 1997, 18(2): 273.
[9]	FENG Ji-Kang, GAO Xiao-Shun, XIAO Chang-Yong, SUN Chia-Chung. A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Phenothiazine Derivatives Substituted on Lateral Rings [J]. Chem. J. Chinese Universities, 1996, 17(8): 1263.

Theoretical Studies of Nonlinear Second-Order Optical Properties of a Series of Molecules of Benzoquinone Derivatives

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 9

Recommended Articles

Metrics

Comments