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• W2038284466 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." @default.
• W2038284466 created "2016-06-24" @default.
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• W2038284466 date "1998-02-01" @default.
• W2038284466 modified "2023-10-18" @default.
• W2038284466 title "The effects of d-s mixing in low symmetry transition metal complexes" @default.
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• W2038284466 doi "https://doi.org/10.1016/s0020-1693(97)05719-8" @default.
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