Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials
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, an...
| Autores: | , , , , , |
|---|---|
| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2014 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/31792 |
| Acceso en línea: | http://hdl.handle.net/11336/31792 |
| Access Level: | acceso abierto |
| Palabra clave: | X-Ray Emission Kbeta Spectroscopy Chromium Materials https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
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Core and Valence Structures in KβX‑ray Emission Spectra of Chromium MaterialsTorres Deluigi, María del Rosariode Groot, Frank M. F.Lopez Diaz, Gaston AlejandroTirao, German AlfredoStutz, Guillermo EduardoRiveros de la Vega, Jose AlbertoX-Ray EmissionKbeta SpectroscopyChromium Materialshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We 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 Kβ1,3 and Kβ′ lines in each oxidation state. The theoretical spectra are compared with experimental data obtained with synchrotron radiation. We found that the Kβ1,3 peak shifts to higher energy with increasing spin state. In addition, the widths of the Kβ1,3 peak 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 CrIV is 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 Kβ2,5 structures on symmetry, bond length, and the effective number of 3d and 4p electrons in different chemical environmentsFil: Torres Deluigi, María del Rosario. Universidad Nacional de San Luis; Argentina. Universidad Nacional de Cuyo; ArgentinaFil: de Groot, Frank M. F.. Utrecht University; Países BajosFil: Lopez Diaz, Gaston Alejandro. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Tirao, German Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Stutz, Guillermo Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Riveros de la Vega, Jose Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaAmerican Chemical Society2014-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31792Torres Deluigi, María del Rosario; de Groot, Frank M. F.; Lopez Diaz, Gaston Alejandro; Tirao, German Alfredo; Stutz, Guillermo Eduardo; et al.; Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials; American Chemical Society; Journal of Physical Chemistry C; 118; 38; 8-2014; 22202-222101932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp409622rinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp409622rinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:23:35Zoai:ri.conicet.gov.ar:11336/31792instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 14:23:36.234CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| title |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| spellingShingle |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials Torres Deluigi, María del Rosario X-Ray Emission Kbeta Spectroscopy Chromium Materials https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| title_short |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| title_full |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| title_fullStr |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| title_full_unstemmed |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| title_sort |
Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials |
| dc.creator.none.fl_str_mv |
Torres Deluigi, María del Rosario de Groot, Frank M. F. Lopez Diaz, Gaston Alejandro Tirao, German Alfredo Stutz, Guillermo Eduardo Riveros de la Vega, Jose Alberto |
| author |
Torres Deluigi, María del Rosario |
| author_facet |
Torres Deluigi, María del Rosario de Groot, Frank M. F. Lopez Diaz, Gaston Alejandro Tirao, German Alfredo Stutz, Guillermo Eduardo Riveros de la Vega, Jose Alberto |
| author_role |
author |
| author2 |
de Groot, Frank M. F. Lopez Diaz, Gaston Alejandro Tirao, German Alfredo Stutz, Guillermo Eduardo Riveros de la Vega, Jose Alberto |
| author2_role |
author author author author author |
| dc.subject.none.fl_str_mv |
X-Ray Emission Kbeta Spectroscopy Chromium Materials https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| topic |
X-Ray Emission Kbeta Spectroscopy Chromium Materials https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| description |
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 Kβ1,3 and Kβ′ lines in each oxidation state. The theoretical spectra are compared with experimental data obtained with synchrotron radiation. We found that the Kβ1,3 peak shifts to higher energy with increasing spin state. In addition, the widths of the Kβ1,3 peak 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 CrIV is 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 Kβ2,5 structures on symmetry, bond length, and the effective number of 3d and 4p electrons in different chemical environments |
| publishDate |
2014 |
| dc.date.none.fl_str_mv |
2014-08 |
| dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
| status_str |
publishedVersion |
| dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/31792 Torres Deluigi, María del Rosario; de Groot, Frank M. F.; Lopez Diaz, Gaston Alejandro; Tirao, German Alfredo; Stutz, Guillermo Eduardo; et al.; Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials; American Chemical Society; Journal of Physical Chemistry C; 118; 38; 8-2014; 22202-22210 1932-7447 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/31792 |
| identifier_str_mv |
Torres Deluigi, María del Rosario; de Groot, Frank M. F.; Lopez Diaz, Gaston Alejandro; Tirao, German Alfredo; Stutz, Guillermo Eduardo; et al.; Core and Valence Structures in KβX‑ray Emission Spectra of Chromium Materials; American Chemical Society; Journal of Physical Chemistry C; 118; 38; 8-2014; 22202-22210 1932-7447 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp409622r info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp409622r |
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info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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openAccess |
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https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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application/pdf application/pdf application/pdf |
| dc.publisher.none.fl_str_mv |
American Chemical Society |
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American Chemical Society |
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reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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15,811543 |