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Factors affecting Metal-Metal Bonding in the Face-Shared d 3 d 3 Bioctahedral Dimer Systems, MMCl 9 5- (M, M = V, Nb, Ta)

Date

Authors

Petrie, Simon

Stranger, Robert

Publisher

American Chemical Society

Abstract

Density functional theory (DFT) calculations have been used to investigate the d3d3 bioctahedral complexes, MM′Cl95-, of the vanadium triad. Broken-symmetry calculations upon these species indicate that the V-containing complexes have optimized metal-me

Keywords

Keywords: dimer; niobium; tantalum; vanadium; article; calculation; chemical structure; complex formation; crystal structure; electron transport; metal binding; molecular interaction; molecular stability

URI

http://hdl.handle.net/1885/85744

Collections

ANU Research Publications

Source

Inorganic Chemistry

Type

Journal article

DOI

10.1021/ic011250z

Restricted until

2037-12-31

Downloads

File

Description

01_Petrie_Factors_affecting_Metal-Metal_2002.pdf (94.65 KB)

02_Petrie_Factors_affecting_Metal-Metal_2002.pdf (94.43 KB)

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