Electronic structure of platinum(II)-phosphine-tin(II)trihalide complexes

Abstract

The geometries, electronic structures and donor-acceptor interactions of the geometric isomers of complexes PtH(PH3)2(L) (L = SnF3, SnF2Cl, SnBr3, and SnI3) have been investigated with electronic structure methods such as QTAIM, ETS-NOCV, and NBO, at the PBEPBE level of theory. Similarly to trichlorostannate, which was characterized before, the trihalostannate fragments act as strong σ-donor and weak π-acceptor ligands upon coordination. Based on structural parameters, their trans influences increase in the order of SnF3< SnF2Cl < SnCl3< SnBr3< SnI3.