Electronic Structure and Biodegradability of Azo Dyestuff Molecule(Ⅱ) The Effect of the Nonlocalized Activity of Substituents on the Reduction Breakdown of Azobond

Chem. J. Chinese Universities ›› 1999, Vol. 20 ›› Issue (2): 268.

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Electronic Structure and Biodegradability of Azo Dyestuff Molecule(Ⅱ) The Effect of the Nonlocalized Activity of Substituents on the Reduction Breakdown of Azobond

ZHANG Xiao-Yi¹, LAN Wei¹, PAN Yu-Sheng², REN Da-Gong³, DU Guo-You³, DUAN Zheng-Kun³, LIU Zhi-Chun³, YAO Sha³

1. Department of Chemistry, Guizhou Normal University, Guiyang, 550001;
2. Guiyang Environmental Protection Bureau, Guiyang, 550001;
3. Guiyang Cotton Textile Mill, Guiyang, 550001

Received:1998-02-23 Online:1999-02-24 Published:1999-02-24

Abstract

Abstract: The electronic effect of hydroxy, amino, nitro on the azobond was studied with nonlocalized activity of substitutents by means of MNDO calculated results and experimental results, then the electronic structure mechanisMAbout the effect of substitutents on the biodegradability was described, further, the Q_A(their values will reflect chemical activity of the atoms in the molecule) in MNDO statistical population analysis was regarded as an electronic structure parameter relating to the biodegradability of azobond.

Key words: Azo dyestuffs, MNDO method, Nonlocalized activity of substitutents, Active charge Q_A, Biodegradability

CLC Number:

TrendMD:

ZHANG Xiao-Yi, LAN Wei, PAN Yu-Sheng, REN Da-Gong, DU Guo-You, DUAN Zheng-Kun, LIU Zhi-Chun, YAO Sha . Electronic Structure and Biodegradability of Azo Dyestuff Molecule(Ⅱ) The Effect of the Nonlocalized Activity of Substituents on the Reduction Breakdown of Azobond[J]. Chem. J. Chinese Universities, 1999, 20(2): 268.

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Electronic Structure and Biodegradability of Azo Dyestuff Molecule(Ⅱ) The Effect of the Nonlocalized Activity of Substituents on the Reduction Breakdown of Azobond

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