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- W2003124202 abstract "The influence of structural parameters on the exchange coupling J between metal atoms in end-to-end azido-bridged binuclear complexes of Cu(II) and Ni(II) has been studied by means of density functional calculations. For the case of double-bridged Cu(II) compounds, four ideal pentacoordinate models have been employed in which the coordination spheres of the two metal atoms are either a trigonal bipyramid or a square pyramid, connected through equatorial or axial bridges. The distortion from those ideal geometries along a Berry pathway has also been analyzed. For the hexacoordinate Ni(II) compounds, models with two or one bridging ligands have been studied. The effect of the bridging M-N-N bond angles on the exchange coupling has been analyzed for both the Cu(II) and Ni(II) complexes." @default.
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- W2003124202 date "2000-06-24" @default.
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- W2003124202 title "Magnetic Coupling in End-to-End Azido-Bridged Copper and Nickel Binuclear Complexes: A Theoretical Study" @default.
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- W2003124202 doi "https://doi.org/10.1021/ic000005x" @default.
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