Formation of Sulfur−Sulfur Bonds in Copper Complexes

The recently reported dinuclear complexes [Cu2(μ‐S2)(diketiminato)2] that have short S−S distances across their Cu2S2 rings are theoretically studied with the help of density functional calculations and a topological analysis of the electron density. The possibility of obtaining the isomeric form wi...

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Bibliographic Details
Published in:European journal of inorganic chemistry 2004-11, Vol.2004 (22), p.4430-4438
Main Authors: Aullón, Gabriel, Alvarez, Santiago
Format: Article
Language:English
Subjects:
Copper-sulfur complexes
Density functional calculations
Electronic structure
Ligand−ligand bonds
Through-ring bonding
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Summary:The recently reported dinuclear complexes [Cu2(μ‐S2)(diketiminato)2] that have short S−S distances across their Cu2S2 rings are theoretically studied with the help of density functional calculations and a topological analysis of the electron density. The possibility of obtaining the isomeric form without a S−S bond is explored by comparing the structure and bonding with its oxo analogue. A study of the influence of several terminal‐chelating ligands on the relative stability of the sulfido‐ and the disulfido‐bridged forms is also presented. The only way to stabilize a sulfido‐bridged isomer is found to be via two‐electron reduction, whereas chemical substitutions are not able to produce the cleavage of the S−S bond. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
ISSN:1434-1948
1099-0682
DOI:10.1002/ejic.200400206