摘要
本文研究了在催化剂Ｌ型组氨酸衍生物催化下的丙氨酸硝基苯酚酯衍生物的水解反应，用ＺＩＮＤＯ程序对三个底物和两个催化剂的电荷分布和能量进行了计算．找出了催化活性中心，提出了合理的反应机理．
In this paper, we have studied hydrolysis of actived amino acid nitrophenyl esters cat- alyzed by L-histidine-containing catalyst, calculated three substances and two catalysts with ZINDO, got their charge distributions and engeries. After analysing these datas, we found out reactive centers of substances and catalysts, proposed a reasonable reacton pathway.
出处
《苏州大学学报（自然科学版）》
CAS
1999年第1期64-69,共6页
Journal of Soochow University(Natural Science Edition)
关键词
活性酯
催化剂
量子化学计算
水解反应
酯
activated esters, hydrolysis, reaction pathway, L-histidine-containing catalyst, quan- tum Chemistry calculation
