隧道效应在硅酮单分子热反应中的应用

Application of Tunneling Effect to Thermal Unimolecular Reaction of Shilanone

采用不对称Ｅｃｋａｒｔ势函数来研究硅酮单分子热反应体系的隧道效应．讨论了温度、压力等因素对单分子反应速率常数及相应的活化能的影响，所得结果与甲醛结果做了比较．

Based on asymmetrical Eckart potential,the tunneling in the unimolecular reaction of silanone is investigated. It has disscussed the effects of temperature and presure on unimolecular rate constant and activated energy.In addition,it has compared those results with the results of formaldehyde.