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• W1993281367 abstract "Complete trigonal ligand field, Coulombic repulsion, and spin–orbit interaction matrices have been computed for the d5 configuration. The ligand field potential for D3d, D3, C3v and a special case of C3 symmetry is expressed as a normalized spherical harmonic (NSH) potential. Ligand field energy level diagrams for the quartet states, as well as zero field (spin–orbit) splitting diagrams for the 6A1(S) ground state of a six-coordinate system, are presented. The advantages and limitations of the NSH formulation are discussed. The sign of the zero field parameter D is correlated with the sense of the trigonal distortion for six coordinate d5 systems of D3d symmetry, and two manganese(II) systems characterized by D3d symmetry are specifically considered." @default.
• W1993281367 created "2016-06-24" @default.
• W1993281367 creator A5078535772 @default.
• W1993281367 date "1976-06-01" @default.
• W1993281367 modified "2023-09-25" @default.
• W1993281367 title "Trigonal ligand field and zero field splitting diagrams for the<i>d</i>⁵configuration" @default.
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• W1993281367 doi "https://doi.org/10.1063/1.432116" @default.
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