Abstract
Detailed multiple scattering calculations have been carried out to understand the K-edge X-ray absorption near-edge structure (XANES) of a number of copper(II) imidazole compounds. Results are presented which show that each of the spectral features observed in the XANES can be understood as arising primarily from electron-scattering effects. The calculations suggest that contributions to the XANES from secondary processes (e.g., shake-off effects) are negligible. Evidence is presented for the existence of electron scattering between the imidazole ligands.
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