Electronic Structure and Metal-Metal Bonding in nominal d 3 d 3  M(II)M(IV)Cl 9  3-  (M(II) = V, Nb, Ta; M(IV) = Mn, Tc, Re) Face-Shared Binuclear Complexes

Stranger, Robert; Petrie, Simon

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Electronic Structure and Metal-Metal Bonding in nominal d 3 d 3 M(II)M(IV)Cl 9 3- (M(II) = V, Nb, Ta; M(IV) = Mn, Tc, Re) Face-Shared Binuclear Complexes

Date

2002

Authors

Stranger, Robert

Petrie, Simon

Publisher

Royal Society of Chemistry

Abstract

Density functional theory (DFT) calculations have been employed to study structural and electronic configuration trends in the series of mixed-group, face-shared, bimetallic complexes M′M″Cl93- (M′ = V, Nb, Ta; M″ = Mn, Tc, Re), in which each meta

Keywords

Keywords: Atoms; Chemical bonds; Complexation; Dimers; Dissociation; Electron energy levels; Electron transport properties; Electronic structure; Niobium compounds; Probability density function; Tantalum compounds; Vanadium compounds; Bimetallic complexes; Density

URI

http://hdl.handle.net/1885/92174

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ANU Research Publications

Source

Dalton Transactions

Type

Journal article

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Electronic Structure and Metal-Metal Bonding in nominal d 3 d 3 M(II)M(IV)Cl 9 3- (M(II) = V, Nb, Ta; M(IV) = Mn, Tc, Re) Face-Shared Binuclear Complexes

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