Theoretical study of trans influence of ligands in Au(I) and Ag(I) complexes is based on quantumchemical calculations fulfilled within the limits of density functional theory. Metal-ligand bond orders and their σ- and π-components were analyzed for several series of [L-M(I)-X] q complexes; the participation of s, p, and d metal orbitals in binding was characterized. The π dative interactions metal→ ligand in Ag(I) and Au(I) complexes are weakened, and trans influence is caused by a competition of σ-donor ligands for the electronic density transfer from lone pairs of ligands onto 0.9s + 0.4dz² hybrid orbitals of gold.
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Sokolov et al. (2010) studied this question.
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