G B Sukharina et al 2009 J. Phys.: Conf. Ser. 190 012148 doi:10.1088/1742-6596/190/1/012148
G B Sukharina1, A N Kravtsova1, A V Soldatov1, Y V Zubavichus2, N A Kryuchkova3 and L N Mazalov3
Show affiliationsThe chelate Co(2,2'-Bipy)(i-Bu2PS2)2 has been studied by X-ray absorption near-edge structure (XANES) spectroscopy. The experimental Co K-edge XANES of the Co(2,2'-Bipy)(i-Bu2PS2)2 has been recorded. Theoretical analysis of Co K-XANES has been performed on the basis of the full-potential finite difference method using FDMNES code and real-space self-consistent full multiple-scattering approach within the muffin-tin approximation for potential shape (FEFF8.4 program). The comparison of the theoretical spectra with the experimental data has been done and a agreement between the theoretical and experimental XANES has been obtained.
78.70.Dm X-ray absorption spectra
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 1 (2009)
G B Sukharina et al 2009 J. Phys.: Conf. Ser. 190 012148
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