化学学报 ›› 1996, Vol. 54 ›› Issue (8): 783-789. 上一篇    下一篇

研究论文

乙腈中β-萘磺酸在汞电极上的电还原机理

黄树坤;陈德文;黄淑辉   

  1. 湖南大学化学化工系;中国科学院化学研究所;清华大学化学工程系
  • 发布日期:1996-08-15

A mechanistic study on the electrochemical reduction of β- naphthyl sulfonic acid in acetonitrile solution at mercury electrode

HUANG SHUKUN;CHEN DEWEN;HUANG SHUHUI   

  • Published:1996-08-15

用循环伏安法、电化学-ESR现场谱学技术和自洽场分子轨道法(CNDO/2)研究了乙腈中β-萘磺酸在汞电极上的电还原机理。结果表明该反应属ECE模式, 电还原服从直接脱磺酸基团机理, 并有萘自由基中间产物的形成。用分子轨道理论对电还原过程作了解释。

关键词: 微分重叠全忽略近似, 分子轨道理论, 萘磺酸, 电子自旋共振, 汞电极, 乙腈, 循环伏安法, 电还原机理

The mechanism of electroreduction of α-naphthyl sulfonic acid at mercury electrode has been studied by means of cyclic voltammetry, electrochemical-ESR spectroscopy in-situ and SCFMO method (CNDO/2). The results showed that its electroreduction obeys ECE scheme involvingthe detachment of sulfonic acid group and the formation of β-naphthylradical. Some explanation for the electroreduction process has been put forward using molecular orbital theory.

Key words: CNDO APPROXIMATION, MOLECULAR ORBITAL THEORY, NAPHTHALENESULFONIC ACID, ELECTRON SPIN RESONANCE, MERCURY ELECTRODE, ACETONITRILE, CYCLOVOLTAMGRAPH

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