Electronic Structure and Biodegradability of Azo-dyes Molecule(Ⅰ) Effect of the Charge Distribution on the Reduction Breakdown of Azo-bond

Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (8): 1283.

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Electronic Structure and Biodegradability of Azo-dyes Molecule(Ⅰ) Effect of the Charge Distribution on the Reduction Breakdown of Azo-bond

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, 550002;
3. Guiyang Cotton Tex tile Mill, Guiyang, 550002

Received:1997-11-18 Online:1998-08-24 Published:1998-08-24

Abstract

Abstract: The electronic structure of a series of azo-dye molecules was calculated by MNDOmethod in this paper. It was found that the biodegradation of azo-bond was greatly affected by the symmetry of the charges distribution in molecular structure in comparison with the anaerobic breakdown experimental results, then the electronic structure biodegradability relationship was described by means of LUMO_lp(lowest unoccupied molecular orbit with the characteristics of lone electron pair) and molecular dipole moment.

Key words: Azo-dye, MNDO method, Electronic structure, Biodegradability

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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-dyes Molecule(Ⅰ) Effect of the Charge Distribution on the Reduction Breakdown of Azo-bond[J]. Chem. J. Chinese Universities, 1998, 19(8): 1283.

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Electronic Structure and Biodegradability of Azo-dyes Molecule(Ⅰ) Effect of the Charge Distribution on the Reduction Breakdown of Azo-bond

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