A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Amino-and Nitro-substituted Pyridine Derivatives

Chem. J. Chinese Universities ›› 1999, Vol. 20 ›› Issue (11): 1754.

• Articles • Previous Articles Next Articles

A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Amino-and Nitro-substituted Pyridine Derivatives

ZHANG Suo-Qin², FENG Ji-Kang¹, REN Ai-Min¹, SU Zhong-Min³

1. National Key Laboratory of Theoretical and Computational Chemistry, Key Laboratory for Supramolecular Structure and Spectroscopy, Jilin University, Changchun 130023, China;
2. Department of Chemistry, Jilin University, Changchun 130023, China;
3. Department of Chemistry, Northeast Normal University, Changchun 130023, China

Received:1999-01-08 Online:1999-11-24 Published:1999-11-24

Abstract

Abstract: On the basis of ZINDO methods, according to the sum-over-states(SOS) formula, the program for the calculation of nonlinear second-order optical susceptibilities β_ijkand β_μ has been devised. The structures and nonlinear second-order optical properties of pyridine and pyridine derivatives have been studied. It is concluded that the substitutes have a great influence on the nonlinear second order optical properties of pyridine derivatives. The calculated results have been explained micromechanically.

Key words: Pyridine derivatives, UV-V is spectra, Nonlinear second-order optical susceptibility, ZINDO-SOS

CLC Number:

O644

TrendMD:

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.

[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]	XU Jin-Yi, HUA Wei-Yi, WU Xiao-Ming, WANG Qiu-Juan, HU Song. Synthesis of 5-Amido-1H-imidazopyridine Derivatives and Their AngiotensinⅡ Receptor Antagonistic Activities [J]. Chem. J. Chinese Universities, 2005, 26(6): 1067.
[3]	DU Jiang-Yan, WANG Bing-Xiang, XU Fei, CHEN Ting-Ting, SHEN Zhu-Ying, SHEN Yong-Miao, XING Wei, LU Tian-Hong. Voltammetric and Circular Dichroism Studies on Interaction Between 1, 4-Dihydropyridine Derivatives and DNA [J]. Chem. J. Chinese Universities, 2005, 26(4): 663.
[4]	QI Yu-Hua, ZHANG Qing-You, LUO Cao-Cao, WANG Jun, XU Lu. Application of Tree Structured Fingerprint to the Prediction of pK_a of Pyridine Derivatives [J]. Chem. J. Chinese Universities, 2004, 25(6): 1100.
[5]	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.
[6]	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.
[7]	SUN Xiu-Yun, FENG Ji-Kang, REN Ai-Min, SU Zhong-Min, FU Wei, JIN Hong-Wei. Theoretical Study of the Structures, Spectra, Nonlinear Second-order Optical Properties and Photoisomerization Process of the Spiroconjugated Compound 1',3',3'-Trimethyl-6- hydroxyspiro[2H-1-benzopyran-2,2'-indoline] [J]. Chem. J. Chinese Universities, 2000, 21(7): 1080.
[8]	GAO Jun-Bo, LI Ke, SUN Hui, YU You-Hai, WANG Ce WU Zhong-Wen, ZHANG Wan-Jin, JI Yi-Ping. The Synthesis of Phenyl-capped Trianiline and Teraaniline by A Modified-pseudo-high Dilution Technique and Their UV-Vis Spectral Studies [J]. Chem. J. Chinese Universities, 2000, 21(2): 315.
[9]	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.
[10]	ZHAO Bing-Jun, ZHU Xiao-Qing, HE Jia-Qi, XIA Chi-Zhong, CHENG Jin-Pei  . An Investigation on Synthesis and Spectroscopic Properties of Hantzsch Type1,4-Dihydropyridine Derivatives [J]. Chem. J. Chinese Universities, 1999, 20(11): 1733.
[11]	MA Wan-Hong, CAI Ru-Xiu, LIU Zhi-Hong, LIN Zhi-Xin . UV-Vis Adsorption Spectra Tracing on Photodegradation of Azo Compounds on the Surface of Titanium Dioxide(é) The Discovery and Kinetic Behaviors Researching of Intermadiates [J]. Chem. J. Chinese Universities, 1999, 20(10): 1542.
[12]	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.
[13]	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.
[14]	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.
[15]	FENG Ji-kang, GAO Xu-ling, SUN Jia-zhong . Studies on the Device of Molecules with Nonlinear Optical Second-Order Susceptibilities [J]. Chem. J. Chinese Universities, 1992, 13(6): 809.

A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Amino-and Nitro-substituted Pyridine Derivatives

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments