Statistical methods to extract chemical information in Valence to Core X-Ray Emission Spectroscopy

S. LIMANDRI; G. TIRAO; I. PASQUEVICH

cordoba

Simposio; 14th International Symposium on Radiation Physics; 2018

Characterizing the number of ligands surrounding a metal site(s) and the local geometry usually desired when studying new materials. Valence to core X-ray Emission Spectroscopy (vtc-XES) studies the filled electron orbitals through the emitted spectra [1]. The valence electronic levels reflect the chemical environment and the analysis of the fluorescence lines (Fig a) linked to these levels are good candidates for ligand identification. For obtaining quantitative information from vtc-XES experiments, a rigorous analysis must be performed. The performance of different statistical methodologies for determining the nominal oxidation state (o.s.) from vtc-XES spectra corresponding to mixtures of Mn2+ and Mn4+ oxides (Fig a) is studied. The methods were: 1) statistical moments and 2) multivariate analysis. The results obtained were compared with theoretical data.