ANALYSIS OF K-ABSORPTION SPECTRA OF SOME COPPER COMPLEXES USING ATHENA

A simplified method has been presented for the analysis of extended X-ray absorption fine structure (EXAFS) data and determining the first shell bond length. In the present EXAFS analysis, we have taken the available experimental EXAFS spectra of some copper compounds recorded at room temperature at the synchrotron EXAFS beamline. The theoretical EXAFS data have been generated employing computer software Athena, for the first coordination shell around the absorbing atom, using the EXAFS equation. For the input in this equation, the phase shift for the backscattered photoelectron wave has been obtained from the experimental data, the backscattering amplitude has been taken from the available tabulations and other parameters have been taken from crystallographic data. Fourier transforms of both the experimental and theoretical data have been computed and they agree well with each other in case of all the compounds. The first shell bond lengths in all the compounds have been computed from the Fourier transforms and LSS method and they have been found to agree well with the crystallographic values