高等学校化学学报

高等学校化学学报 ›› 1999, Vol. 20 ›› Issue (2): 268.

• 论文 • 上一篇    下一篇

偶氮染料分子的电子结构与生物降解活性 (Ⅱ)──取代基非定域活性对偶氮键还原裂解的影响

张笑一1, 兰薇1, 潘渝生2, 任大恭3, 都国友3, 段正坤3, 刘志春3, 姚莎3   

  1. 1. 贵州师范大学化学系, 贵阳 550001;
    2. 贵阳市环境保护局, 贵阳 550001;
    3. 贵阳棉纺厂, 贵阳 550001
  • 收稿日期:1998-02-23 出版日期:1999-02-24 发布日期:1999-02-24
  • 通讯作者: 张笑一,女,49岁,副教授.
  • 作者简介:张笑一,女,49岁,副教授.
  • 基金资助:

    贵州省科委自然科学基金

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. 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

PDF (PC)

被引次数

35

摘要： 通过MNDO计算及相关实验结果,用取代基非定域活性概念分析了羟基、氨基及硝基在-N=N-上的电子效应,阐述了取代基影响偶氮键生物降解活性的电子结构机理,并提出将MNDO统计集居分析中的活性电荷QA(其值可反映原子在分子中的化学活性)作为关联偶氮键生物降解活性的电子结构参数.

关键词: 偶氮染料, MNDO方法, 取代基的非定域活性, 活性电荷QA, 生物降解活性

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 QA(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 QA, Biodegradability

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