Electronic structure and bonding in the platinum-silylene complex [PtSiH2]

Relativistic ab initio molecular orbital calculations have been performed o n the monoligated neutral complex [PtSiH2] in order to investigate the natu re and energetics of the interaction between the metal and SiH2 ligand. The results suggest that the silylene ligand acts as both a sigma-donor and pi -acceptor but is a relatively better pi-acceptor. The electronic structure of [PtSiH2] is analyzed in detail as measured by Wiberg's bond indices, cha rge distributions and orbital populations. (C) 2000 Elsevier Science S.A. A ll rights reserved.