A deconvolution procedure has been applied to K-edge X-ray absorption near-edge structure (XANES) spectra of lanthanoid-containing solid systems, namely, hexakis(dmpu)praseodymium(III) and -gadolinium(III) iodide. The K-edges of lanthanoids cover the energy range 38 (La)-65 (Lu) keV, and the large widths of the core-hole states lead to broadening of spectral features, reducing the content of structural information that can be extracted from the raw X-ray absorption spectra. Here, we demonstrate that deconvolution procedures allow one to remove most of the instrumental and core-hole lifetime broadening in the K-edge XANES spectra of lanthanoid compounds, highlighting structural features that are lost in the raw data. We show that quantitative analysis of the deconvolved K-edge XANES spectra can be profitably used to gain a complete local structural characterization of lanthanoid-containing systems not only for the nearest neighbor atoms but also for higher-distance coordination shells.

Quantitative Analysis of Deconvolved X-ray Absorption Near-Edge Structure Spectra: A Tool To Push the Limits of the X-ray Absorption Spectroscopy Technique / D'Angelo, Paola; Migliorati, Valentina; Ingmar, Persson; Giordano, Mancini; Stefano Della, Longa. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - 53:(2014), pp. 9778-9784. [10.1021/ic501366d]

Quantitative Analysis of Deconvolved X-ray Absorption Near-Edge Structure Spectra: A Tool To Push the Limits of the X-ray Absorption Spectroscopy Technique.

D'ANGELO, Paola;MIGLIORATI, VALENTINA;
2014

Abstract

A deconvolution procedure has been applied to K-edge X-ray absorption near-edge structure (XANES) spectra of lanthanoid-containing solid systems, namely, hexakis(dmpu)praseodymium(III) and -gadolinium(III) iodide. The K-edges of lanthanoids cover the energy range 38 (La)-65 (Lu) keV, and the large widths of the core-hole states lead to broadening of spectral features, reducing the content of structural information that can be extracted from the raw X-ray absorption spectra. Here, we demonstrate that deconvolution procedures allow one to remove most of the instrumental and core-hole lifetime broadening in the K-edge XANES spectra of lanthanoid compounds, highlighting structural features that are lost in the raw data. We show that quantitative analysis of the deconvolved K-edge XANES spectra can be profitably used to gain a complete local structural characterization of lanthanoid-containing systems not only for the nearest neighbor atoms but also for higher-distance coordination shells.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/634982
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