摘要
利用诱导效应指数I,建立了计算一些CH3-X的键裂能的方法,并计算了一些甲基衍生物CH3-X的键裂能,其平均偏差为1.93kJ·mol-1。同时,推导出由DHOm(HX)和I计算烷基衍生物的键裂能的方法。23个可比较值的平均偏差为2.68kJ·mol-1。
By use of the inductive effect index I, the formula for calculating some bond dissociation energies of CH 3-X is built up, and some bond dissociation energies of methyl derivatives CH 3-X are calculated, its average deviation is 1.93 kJ·mol -1 . meanwhile, the formula for calculating the bond dissociation energies of alkyl derivatives from DH O m (HX) and I is derived, the 23 available average deviations are 2.68 kJ·mol -1 .
关键词
诱导效应指数
衍生物
键裂能
化学键
有机物
inductive effect index, methyl derivatives, alkyl derivatives, bond dissociation energy