Core and valence structures in Kβ X-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...
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todo:paper_19327447_v118_n38_p22202_TorresDeluigi2023-10-03T16:35:59Z Core and valence structures in Kβ X-ray emission spectra of chromium materials Torres Deluigi, M. De Groot, F.M.F. López-Díaz, G. Tirao, G. Stutz, G. Riveros De La Vega, J. Valence structure X-ray emission spectra 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_19327447_v118_n38_p22202_TorresDeluigi |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Valence structure X-ray emission spectra |
| spellingShingle |
Valence structure X-ray emission spectra 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 |
| topic_facet |
Valence structure X-ray emission spectra |
| 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 Kβ1,3and 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. |
| format |
JOUR |
| author |
Torres Deluigi, M. De Groot, F.M.F. López-Díaz, G. Tirao, G. Stutz, G. Riveros De La Vega, J. |
| author_facet |
Torres Deluigi, M. De Groot, F.M.F. López-Díaz, G. Tirao, G. Stutz, G. Riveros De La Vega, J. |
| author_sort |
Torres Deluigi, M. |
| title |
Core and valence structures in Kβ X-ray emission spectra of chromium materials |
| title_short |
Core and valence structures in Kβ X-ray emission spectra of chromium materials |
| title_full |
Core and valence structures in Kβ X-ray emission spectra of chromium materials |
| title_fullStr |
Core and valence structures in Kβ X-ray emission spectra of chromium materials |
| title_full_unstemmed |
Core and valence structures in Kβ X-ray emission spectra of chromium materials |
| title_sort |
core and valence structures in kβ x-ray emission spectra of chromium materials |
| url |
http://hdl.handle.net/20.500.12110/paper_19327447_v118_n38_p22202_TorresDeluigi |
| work_keys_str_mv |
AT torresdeluigim coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials AT degrootfmf coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials AT lopezdiazg coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials AT tiraog coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials AT stutzg coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials AT riverosdelavegaj coreandvalencestructuresinkbxrayemissionspectraofchromiummaterials |
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1807315543029448704 |