N-乙酰基丁内酰胺热分解反应的研究

Theoretical Study on the Thermolysis of N acetylbutyrolactam

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．

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.