Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Influence of Jahn-Teller Distortion on the Magnetic Coupling in Oxalato-Bridged Copper(II) Dimers: An Orbital Interpretation of the Superexchange Mechanism

  • Published : 2005.12.20
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Abstract

Extended H$\ddot{u}$ckel molecular calculations have been used to analyze how the magnitude of exchange coupling is influenced by the structural distortions in a series of dinuclear six-coordinate copper(II) complexes bridged by the planar bis-bidentate oxalate anion. Copper(II) ions have distorted octahedral surroundings, one being axially elongated and the other compressed. The magnetic interaction is strong in the former complexes and very weak in the latter. This is interpreted as resulting from a switching of magnetic spin orbitals due to the structural distortions (bond elongation or compression) of the copper sites.

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References

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