Metal-Metal Bonding Trends in Mixed-Group, Face-Shared d 3 d 3 Bioctahedral Dimer Systems, M'M"Cl 9 n-

Date

Authors

Petrie, Simon

Stranger, Robert

Publisher

Pergamon-Elsevier Ltd

Abstract

The results of density functional theory (DFT) calculations on a set of binuclear nonachloride complexes M′M″Cl94- (M′ = V, Nb, Ta; M″ = Cr, Mo, W) and M′M″Cl92- (M′ = Cr, Mo, W; M″ = Mn, Tc, Re), in which each metal possesses a nominal d3

Keywords

Keywords: dimer; metal; acceleration; article; binding affinity; calculation; chemical structure; density; dimerization; electrochemical analysis; electron transport; energy transfer; magnetism; mathematical analysis; metal binding; molecular interaction; polarizat DFT calculations; Dinuclear transition metal complexes; Electron transfer; Magnetic coupling; Metal-metal bonding; Spin polarization

URI

http://hdl.handle.net/1885/85749

Collections

ANU Research Publications

Source

Polyhedron

Type

Journal article

DOI

10.1016/S0277-5387(02)00999-3

Restricted until

2037-12-31

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02_Petrie_Metal-Metal_Bonding_Trends_in_2002.pdf (720.06 KB)