Analysis of the Ni K-edge X-ray absorption near edge structure in Ni((C2H5O)2PS2)2

The Ni((C₂H₅O)₂PS₂)₂ complex has been investigated using the X-ray absorption near edge structure (XANES) analysis. Nickel K-edge XANES spectra of the complex have been measured and theoretical calculations of the spectra have been carried out using the finite difference method; the calculation of molecular potential has been carried out both in the full potential and in the muffin-tin approximation. The analysis of results obtained has shown that a good agreement between theoretical and experimental spectra in the low-energy region is achieved only in the case of full potential calculations (beyond the muffin-tin approximation for the potential shape).     

Effect of Heat Treatment on the Formation of Copper Active Centers Obtained by the Interaction of Copper Chloride with H-Mordenite

Physics of the Solid State - The effect of temperature conditions on the formation of copper active sites obtained by solid state ion exchange between copper chloride and H-mordenite zeolite using...     

Local Structure of Copper Centers Obtained during Solid-Phase Synthesis in Copper–Mordenite Zeolite

Technical Physics - The influence of temperature conditions for synthesis on the nearest-neighbor environment of copper atoms in copper–mordenite zeolites produced by solid-phase ion exchange...     

Analysis of the fine structure of XANES spectra over Ni<Emphasis Type="Italic">K</Emphasis> edge in Ni(EtOCS<Subscript>2</Subscript>)<Subscript>2</Subscript>

The NiK edge X-ray absorption near edge spectra (XANES) of the Ni(EtOCS₂)₂ complex were measured. The theoretical NiK edge XANES spectra were calculated by the total multiple scattering and finite difference methods; the potential was calculated with a muffin-tin approximation and without it. It is shown that inclusion of the non-muffin-tin effects is important for modeling the NiK XANES spectrum for the Ni(EtOCS₂)₂ complex; good agreement with experiment was achieved only in the calculations with the total potential (without the muffin-tin approximation for the shape of the potential).