Stannaborate transition metal chemistry: Ligand properties, reactivity, and density functional theory calculations of platinum and palladium complexes

Three stannaborate complexes of platinum(II) and a novel stannoborate palla dium(II) derivative have been prepared in excellent yield. The tin transiti on metal bond is formed through nucleophilic substitution and the resulting complexes [Bu3MeN][trans{(Et3P)(2)Pt(SnB11H11)H}] (6), [trans{(Et3P)(2)Pt( SnB11H11)(CNtBu)}] (7), [Bu3MeN](2)[trans-{(Et3P)(2)Pt(SnB11H11),(CNtBu)}] (8), and [Bu3MeN][(dppe)-Pd(SnB11H11)Me] (12) (dppe=1,2-bis-(diphenylphosph anyl)ethane) were characterized by NMR spectroscopy and elemental analysis. In the cases of the zwitterion 7, the pentacoordinated complex 9, the pall adium salt 12 and [(triphos)Pt(SnB11H11)] (10) (triphos = 1,1,1-tris(diphen ylphosphanylmethyl)-ethane), their solid-state structures are determined by X-ray crystal structure analyses. The trans influence of the [SnB11H11] li gand is evaluated from the results of the IR spectroscopy and X-ray crystal lographic structures of complexes 6, 7 and 12. The dipole moment of the zwi tterion 7 is calculated by density functional theory (DFT) methods. The ali gnment of the dipole moments of the polar molecules 7 and 12 in the solid s tate is discussed.