摘要
用ＡＭ１方法研究了４－羰基嘧啶及其甲基衍生物的酮式（ｋｅｔｏ）和醇式（ｅｎｏｌ）之间的质子转移互变异构反应。该异构化反应是由氢原子Ｈ＿（１１）带正电荷迁移引发的电荷控制反应。
AM1 method has been applied to study the tautomeric reactions of 4-oxoprimidineand its derivatives.The results show that:(1)the keto forms are more stable than the enolforms for these tautomerisms;(2)these tautomeric reactions are the charge transference re-actions controlled by the transfering of atom H_(11) with positive charge,ancl the activation en-ergies of the tautomerisms of 4-oxoprimidine, 6-methy1-4-oxoprimidine and 2,6-dimethyl-4-oxoprimidine are 205. 780,206. 618 and 205.715 kJ/mol,respectively.
出处
《南昌大学学报（理科版）》
CAS
1995年第2期186-191,共6页
Journal of Nanchang University(Natural Science)
基金
江西省自然科学基金
关键词
羰基嘧啶
异构经
过渡态
衍生物
oxoprimidine,tautomerism,transition state(TS)
