The structure and acid–base properties of methyl and silyl amines and phosphines: An ab-initio SCF study

The structures of the methyl and silyl amines and phosphines and their ions have been calculated using ab-initio SCF theory and the 3-21G basis set. The computed structures give excellent agreement with the available experiment data without the inclusion of d functions, with the exception of (SiH₃)₂N– and the isoelectronic molecules (SiH₃)₂O and (SiH₃)₂C^2? where d functions are essential. The observed trends in computed basicities and acidities are reproduced by the calculations.