The Reason of the Significant Differences in Antiferromagnetic Interactions between Homologous μ-Acetato-Bridged Dicopper(II) Complexes: A Theoretical Study-Reference-Cited by-同舟云学术

The Reason of the Significant Differences in Antiferromagnetic Interactions between Homologous μ-Acetato-Bridged Dicopper(II) Complexes: A Theoretical Study

Published:2002-05-01 Issue:5 Volume:57 Page:209-214
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:
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Author:

Kavlakoglu E.¹²,Elmali A.³²,Elerman Y.³²

Affiliation:

1. 1Department of Engineering Physics, Faculty of Engineering, Ankara University, 06100 Besevler-Ankara, Turkey * Alexander von Humboldt Fellow Department of Engineering Physics, Faculty of Engineering, Ankara University, 06100 Besevler-Ankara, Turkey

2. 2Alexander von Humboldt Fellow

3. 3Department of Engineering Physics, Faculty of Engineering, Ankara University, 06100 Besevler-Ankara, Turkey

Abstract

The influence of the overlap interactions between the bridging ligands and the metal d orbitals on the super-exchange coupling constant has been studied by ab-initio Restricted Hartree-Fock molecular orbital calculations. The interaction between the magnetic d orbitals and the HOMOs of the acetate oxygens has been investigated in homologous μ-acetato-bridged dicopper(II) complexes which have significantly different 2 values (the energy seperation between the spin - triplet and spin - singlet states).

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-2002-0501/pdf

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