【摘要】 用ＰＭ３方法研究了Ｎ乙酰基丁内酰胺热分解反应，计算所得活化能为１７９．４７９Ｊ·ｍｏｌ－１，与实验值可比．反应途径用福井提出的内禀反应坐标（ＩＲＣ）理论进行了剖析更多还原

【Abstract】 PM3 method has been applied to study the thermolysis of N acetylbutyrolactam.The results obtained show that N acetylbutyrolactam is thermally decomposed through a unimolecular elimination involving a six center cyclic transition state,and this thermolysis is caused by the migration of β H atom with the positive charge.更多还原