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Schlagwörter:
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Zusammenfassung:
For Co-containing crystalline compounds measured by XAS, the influence of the local symmetry on the K pre -edge features is studied using advanced Ligand Field Multiplet (LFM) calculations, which accurately take into account the p -d hybridization. The LFM theory is used to calculate the K pre -edge spectra of Co2+ in various environments and the absolute intensities of electric -quadrupole and -dipole transitions involved in the pre -edge. This enables to reproduce the spectra for cubic (Oh, Td) and lower symmetries (C D3h), and allows quantitative derivation of the local p -d mixing.
