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The near K-edge structures originate from electronic transitions from the occupied 1s core orbital of the metal ion to the excited vacant metal orbitals of proper symmetry, according to the selection rule Δl = ± 1. In a simplified one-electron approximation, these are 1s (l = 0) → 4p (l = 1) allowed transitions (edge structures) and 1s (/ = 0) → 3d (l = 2) forbidden transitions (pre-edge structures). The XANES spectra are therefore closely related to the electronic and stereochemical properties of the metal complexes (e.g., metal oxidation state, coordination geometry and ligand environment).
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II,III-edges, which are more sensitive than the K-edge to the occupancy of the 3d orbitals, are planned in order to address this problem.
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