摘要
用ＡＭ１方法研究了叔－丁基醚热分解反应，发现这类化合物可经过四元环过渡态分解成丁烯和醇或酚。
AM1 method has been used to study the thermolysis of t-butylether.The results obtained show that these compounds can decompose into butylene and alcohol or phenols through an elimination involving four-center cyclic transition states. The activation energies of reactions, for R=CH3,CH2CH3,CH(CH3)2,CH2CN,C6H5,p-CH3OC6H4,p-NH2C6H4and p-NO2C6H4 are 248.8, 245.5, 238.5, 216.4, 219.5, 217.9,221.6 and 188.2 kJ/mol,respectively,which are consistent with the experimental values.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1994年第9期1381-1384,共4页
Chemical Journal of Chinese Universities
基金
江西省自然科学基金
