On the structure of the SiH4+ cation and its potential energy surface for rearrangement and dissociation: an ab initio M.O. study

Abstract

An ab initio M.O. study of the SiH₄⁺ potential energy surface reveals, in contrast with previous studies, that its most stable structure has C_s symmetry, and that a C_2v transition structure interconverts equivalent C_s structures; the C_s form should easily dissociate, giving SiH₂⁺ and H₂, rather than SiH₃⁺ and H; higher energy C_3v and D_2d minima were also located but are predicted to have only evanescent existence.