和厚朴酚电化学还原机理的研究  

Theoretical Study on the Mechanism of Electrochemical Reduction Reactions of Honokiol

作　　者：孙成科[1] 龚思源[2] 李宗和[2] 马思渝[2] 李启隆[2] 

机构地区：[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

出　　处：《高等学校化学学报》2000年第6期912-917,共6页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金! (批准号 :2 9773 0 0 7);国家教育部博士点基金

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4 e和 4 H+ ,使两个烯丙基饱和 ,计算结果较好地说明了实验事实 .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 semi 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. [WT5HZ]

关 键 词：和厚朴酚 电化学反应 AM1方法 中药 电化学测定 

分 类 号：R284.1[医药卫生—中药学] O657.1[医药卫生—中医学]