Abstract
Relativistic ab initio molecular orbital calculations have been performed on the monoligated neutral complex [PtSiH 2] in order to investigate the nature and energetics of the interaction between the metal and SiH 2 ligand. The results suggest that the silylene ligand acts as both a σ-donor and π-acceptor but is a relatively better π-acceptor. The electronic structure of [PtSiH 2] is analyzed in detail as measured by Wiberg’s bond indices, charge distributions and orbital populations.
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