高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (6): 912.

• 论文 • 上一篇    下一篇

和厚朴酚电化学还原机理的研究

孙成科1, 龚思源2, 李宗和2, 马思渝2, 李启隆2   

  1. 1. 曲靖师范高等专科学校化学系, 曲靖 655000;
    2. 北京师范大学化学系, 北京 100875
  • 收稿日期:1999-04-02 出版日期:2000-06-24 发布日期:2000-06-24
  • 通讯作者: 李宗和(1945年出生),男,教授,从事分子反应动态学研究.
  • 基金资助:

    国家自然科学基金(批准号:29773007);国家教育部博士点基金

Theoretical Study on the Mechanism of Electrochemical Reduction Reactions of Honokiol

SUN Cheng-Ke1, GONG Si-Yuan2, LI Zong-He2, MA Si-Yu2, LI Qi-Long2   

  1. 1. Department of Chemistry, Qujing Normal College, Qujing 655000, China;
    2. Department of Chemistry, Beijing Normal University, Beijing 100875, China
  • Received:1999-04-02 Online:2000-06-24 Published:2000-06-24

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被引次数

15

摘要： 用量子化学AM1、PM3方法研究了和厚朴酚分子的电化学还原反应机理.结果表明,和厚朴酚分子电还原的基团为两个烯丙基的双键,其中邻位烯丙基优先被还原,对位次之,整个还原反应中和厚朴酚得到4e和4H+,使两个烯丙基饱和,计算结果较好地说明了实验事实.

关键词: 和厚朴酚, 电化学反应, 机理, AM1方法

Abstract: The mechanism of electrochemical reduction reaction of 2-(3-allyl-4-hydroxyl)-phenyl-4-allyl-phenol, also named honokiol, has been studied by using the sem i-empirical molecular orbital AM1 and PM3 methods. The results show that these reduced positions of honokiol molecule are two double bonds of o allyl and p allyl groups, and the o-allyl group is reduced first, then the p-allyl group. The honokiol gets 4e and 4H+, and the two allyl groups are saturated in the reduction process. The calculated results are in good agreement with experimental facts.

Key words: Honokiol, Electrochemical reaction, Mechanism, AM1 method

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