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Metal-Metal Bonding in M2Cl6(H2PCH2PH2)2, M2Cl6(PH3)4 and M2Cl104- (M = Cr, Mo, W) Edge-Shared Dimer Systems

Stranger, Robert; Lovell, Timothy; McGrady, John Ewart


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]

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
Source: Inorganic Chemistry


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