Valence-bond studies on SiH₃

Abstract

Valence-bond calculations are reported for the ground state of SiH₃, a contracted double-zeta basis set being used. Without the use of silicon 3d orbitals, a planar structure is predicted, but the inclusion of 3d orbitals in the basis set leads to a pyramidal structure being predicted. The covalent structure is the most important structure. Structures in which the silicon atom carries a positive charge favour a pyramidal structure, but those in which the silicon atom carries a negative charge tend to favour a planar structure.