The rôle of d functions in the Si—N bond

Abstract

(p→d) π -bonding to silicon in SiH 3 NCO, SiH 3 N 3 and (SiH 3 ) 3 N has been investigated by examining the stereochemistry, dipole moments and low -energy photoelectron spectra of these molecules and their carbon analogues using ab initio and semi-empirical molecular orbital theory. It is concluded that although (p→d) π -bonding may play an important part in the Si—N bond it does not directly control the stereochemistry of the silicon pseudohalides.