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Torres Deluigi, M.; De Groot, F.M.F.; López-Díaz, G.; Tirao, G.; Stutz, G.; Riveros De La Vega, J. "Core and valence structures in Kβ X-ray emission spectra of chromium materials" (2014) Journal of Physical Chemistry C. 118(38):22202-22210
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Abstract:

We analyze the core and valence transitions in chromium in a series of materials with a number of different ligands and including the oxidation states: CrII, CrIII, CrIV, and CrVI. To study the core-to-core transitions we employ the CTM4XAS program and investigate the shapes, widths, intensities, and energy positions of the Kβ1,3and Kβ′ lines in each oxidation state. The theoretical spectra are compared with experimental data obtained with synchrotron radiation. We found that the Kβ1,3peak shifts to higher energy with increasing spin state. In addition, the widths of the Kβ1,3peak increases as the oxidation state decreases, which we explain from the increased spread of the multiplet structures. In the Kβ′ structure the presence of two peaks in CrII, CrIII, and CrIVis due to the large 3p3d exchange interaction. For the analysis of the valence transitions we utilize the DV-Xα method. We study the dependence of the relative intensities of the Kβ and Kβ2,5structures on symmetry, bond length, and the effective number of 3d and 4p electrons in different chemical environments. © 2014 American Chemical Society.

Registro:

Documento: Artículo
Título:Core and valence structures in Kβ X-ray emission spectra of chromium materials
Autor:Torres Deluigi, M.; De Groot, F.M.F.; López-Díaz, G.; Tirao, G.; Stutz, G.; Riveros De La Vega, J.
Filiación:Departamento de Física, Universidad Nacional de San Luis, San Luis, Argentina
Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, Mendoza, Argentina
Department of Chemistry, Utrecht University, Universiteitsweg 99, Utrecht, Netherlands
Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Córdoba, Argentina
Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires, Argentina
Palabras clave:Valence structure; X-ray emission spectra
Año:2014
Volumen:118
Número:38
Página de inicio:22202
Página de fin:22210
DOI: http://dx.doi.org/10.1021/jp409622r
Título revista:Journal of Physical Chemistry C
Título revista abreviado:J. Phys. Chem. C
ISSN:19327447
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v118_n38_p22202_TorresDeluigi

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Citas:

---------- APA ----------
Torres Deluigi, M., De Groot, F.M.F., López-Díaz, G., Tirao, G., Stutz, G. & Riveros De La Vega, J. (2014) . Core and valence structures in Kβ X-ray emission spectra of chromium materials. Journal of Physical Chemistry C, 118(38), 22202-22210.
http://dx.doi.org/10.1021/jp409622r
---------- CHICAGO ----------
Torres Deluigi, M., De Groot, F.M.F., López-Díaz, G., Tirao, G., Stutz, G., Riveros De La Vega, J. "Core and valence structures in Kβ X-ray emission spectra of chromium materials" . Journal of Physical Chemistry C 118, no. 38 (2014) : 22202-22210.
http://dx.doi.org/10.1021/jp409622r
---------- MLA ----------
Torres Deluigi, M., De Groot, F.M.F., López-Díaz, G., Tirao, G., Stutz, G., Riveros De La Vega, J. "Core and valence structures in Kβ X-ray emission spectra of chromium materials" . Journal of Physical Chemistry C, vol. 118, no. 38, 2014, pp. 22202-22210.
http://dx.doi.org/10.1021/jp409622r
---------- VANCOUVER ----------
Torres Deluigi, M., De Groot, F.M.F., López-Díaz, G., Tirao, G., Stutz, G., Riveros De La Vega, J. Core and valence structures in Kβ X-ray emission spectra of chromium materials. J. Phys. Chem. C. 2014;118(38):22202-22210.
http://dx.doi.org/10.1021/jp409622r