摘要
1981年第一个含碳硅双键的化合物被分离出来.但这类化合物在通常条件下是不稳定的,易于发生加成、异构化反应.Conlin给出了甲基硅乙烯异构化反应的实验证据.近来Davidson和Conlin又对反应(1)进行了热力学、动力学观测,实验表明反应(1)
The titled isomerizaton of methylsilene has been studied at ab initio level. Theharmonic vibrational frequencies of reactant, product and transition state, the barrierenergy, reaction heat, equilibrium constant and rate constant are calculated. Theresults indicate that this reaction is exothermic, spontaneous and high temperatureabove 900K is favourable for the isomerization. The prediction is in agreement withexperiment.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1990年第1期100-102,共3页
Acta Physico-Chimica Sinica
基金
国家自然科学基金资助课题
