Nonempirical study of the equilibrium geometry, electronic structure, and reactions with methyl cation of some amines and their organosilicon analogs

Nonempirical calculations of the equilibrium geometry and electronic struct ure of NH3, XH3NH2, and XH3NHYH3 molecules (X, Y = C, Si) and CH3+ cation s howed that the reactivity of amines with respect to methyl cation decreases in the series dimethylamine > methylamine > ammonia; an analogous series o f silicon-containing amines is as follows: CH3NHSiH3 > SiH3NH2 > silazane. Alkylamines are more reactive than their organosilicon analogs.