An understanding of the X-ray absorption near-edge structure of copper(II) imidazole complexes

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.