Metal-Metal Bonding in M2Cl6(H2PCH2PH2)2, M2Cl6(PH3)4 and M2Cl104- (M = Cr, Mo, W) Edge-Shared Dimer Systems
Density functional theory is used to determine the electronic structures, geometries, and periodic trends in metal-metal bonding in the homo- and heterobimetallic d3d3 edge-shared systems M2Cl104-, M2Cl6(PH3)4, and M2-Cl6(H2PCH2PH2) 2 (M = Cr, Mo, W). The much shorter metal-metal distances in these complexes relative to M2Cl104- (M = Mo, W) are shown to arise solely from electronic differences between chlorine and phosphine donors. Due to inversion of the δand δ*orbitals, the complexes...[Show more]
|Collections||ANU Research Publications|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.