Theoretical analysis of EXAFS data of copper (II) complexes of isoxezol series

337-339A newly approached method has been employed for analysis of the K-absorption X-ray spectra of mixed ligand complexes and verification of structural parameters obtained experimentally. Extended X-ray absorption fine structure (EXAFS) data is generated using standard EXAFS equation and EXAFS curves are plotted for some copper (II) mixed ligand complexes of isoxezol series. Fourier transform of calculated EXAFS data has been taken to calculate bond lengths theoretically. These bond lengths are compared with bond lengths obtained using other methods from experimental EXAFS data. Imaginary part of Fourier transform is compared with the amplitude of Fourier transform to verify consistency of experimentally obtained phase shift parameter with calculated data