The effects of d-s mixing in low symmetry transition metal complexes

Riley, Mark J. (1998) The effects of d-s mixing in low symmetry transition metal complexes. Inorganica chimica acta, 268 1: 55-62. doi:10.1016/S0020-1693(97)05719-8

Author Riley, Mark J.
Title The effects of d-s mixing in low symmetry transition metal complexes
Journal name Inorganica chimica acta   Check publisher's open access policy
ISSN 0020-1693
Publication date 1998-02
Sub-type Article (original research)
DOI 10.1016/S0020-1693(97)05719-8
Volume 268
Issue 1
Start page 55
End page 62
Total pages 8
Place of publication Switzerland
Publisher Elsevier Science
Language eng
Subject 030207 Transition Metal Chemistry
Formatted abstract
The extension of the angular overlap model to include the effect of d-s mixing on the electronic structure of low symmetry transition metal complexes is investigated. It is shown that even for complexes with no symmetry, an axis can be defined in which only one d orbital is affected by the d-s mixing. However in a general low symmetry complex, the use of a coordinate system defined by this axis can introduce additional complexity into the description of the low symmetry ligand field. This formalism is used to calculate one electron d orbital energies for a number of low symmetry distortions of a ML5 complex. In addition the effect of the d-s mixing on the electronic groundstate of octahedral Cu(II)L6 complexes is examined as a function of the Jahn-Teller active coordinates.
Keyword angular overlap model
d-s mixing
low symmetry ligand fields
Jahn-Teller coupling
Vibrational Fine-Structure
Jahn-Teller Distortions
Angular Overlap Model
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemistry and Molecular Biosciences
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Citation counts: TR Web of Science Citation Count  Cited 19 times in Thomson Reuters Web of Science Article | Citations
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Created: Mon, 19 Jul 2010, 11:48:19 EST by Laura McTaggart on behalf of Faculty of Science