Abstract
An X-ray absorption fine structure (XAFS) study has been conducted to reveal the local structure and chemical state of the copper in the complex of an acetylacetonate-based ligand (L1) and copper ion in acetonitrile solution. The copper ion in the complex was found to be divalent from the Cu K-edge X-ray absorption near-edge structure (XANES) spectrum. The FEFF (ab initio multiple scattering calculations of XAFS) were performed with the model compounds, whose structures were optimized by using MOPAC program with AM1 Hamiltonian. The comparative study of the experimental XAFS spectra and theoretical calculations from FEFF gave the perspectives for clarifying the coordination structure of the complex of L1 and copper ion.
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