Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example

Fine X-ray photo electron spectral (XPS) structure of uranium dioxide UO2 in the binding energy (BE) range 0-~č40 eV was associated mostly with the electrons of the outer (OVMO) (0-15 eV BE) and inner (IVMO) (15-40 eV BE) valence molecular orbitals formed from the incompletely U5f,6d,7s and O2p and...

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Main Authors: Teterin Yury A., Teterin Anton Yu.
Format: Article
Language:English
Published: VINCA Institute of Nuclear Sciences 2004-01-01
Series:Nuclear Technology and Radiation Protection
Subjects:
Online Access:http://www.doiserbia.nb.rs/img/doi/1451-3994/2004/1451-39940402003T.pdf
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author Teterin Yury A.
Teterin Anton Yu.
author_facet Teterin Yury A.
Teterin Anton Yu.
author_sort Teterin Yury A.
collection DOAJ
description Fine X-ray photo electron spectral (XPS) structure of uranium dioxide UO2 in the binding energy (BE) range 0-~č40 eV was associated mostly with the electrons of the outer (OVMO) (0-15 eV BE) and inner (IVMO) (15-40 eV BE) valence molecular orbitals formed from the incompletely U5f,6d,7s and O2p and completely filled U6p and O2s shells of neighboring uranium and oxygen ions. It agrees with the relativistic calculation results of the electronic structure for the UO812–(Oh) cluster reflecting uranium close environment in UO2, and was confirmed by the X-ray (conversion electron, non-resonance and resonance O4,5(U) emission, near O4,5(U) edge absorption, resonance photoelectron, Auger) spectroscopy data. The fine OVMO and IVMO related XPS structure was established to yield conclusions on the degree of participation of the U6p,5f electrons in the chemical bond, uranium close environment structure and interatomic distances in oxides. Total contribution of the IVMO electrons to the covalent part of the chemical bond can be comparable with that of the OVMO electrons. It has to be noted that the IVMO formation can take place in compounds of any elements from the periodic table. It is a novel scientific fact in solid-state chemistry and physics.
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spelling doaj.art-c1962f0ad191406ca3ab1472f55d3c5c2022-12-22T01:51:56ZengVINCA Institute of Nuclear SciencesNuclear Technology and Radiation Protection1451-39942004-01-0119231410.2298/NTRP0402003TModern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an exampleTeterin Yury A.Teterin Anton Yu.Fine X-ray photo electron spectral (XPS) structure of uranium dioxide UO2 in the binding energy (BE) range 0-~č40 eV was associated mostly with the electrons of the outer (OVMO) (0-15 eV BE) and inner (IVMO) (15-40 eV BE) valence molecular orbitals formed from the incompletely U5f,6d,7s and O2p and completely filled U6p and O2s shells of neighboring uranium and oxygen ions. It agrees with the relativistic calculation results of the electronic structure for the UO812–(Oh) cluster reflecting uranium close environment in UO2, and was confirmed by the X-ray (conversion electron, non-resonance and resonance O4,5(U) emission, near O4,5(U) edge absorption, resonance photoelectron, Auger) spectroscopy data. The fine OVMO and IVMO related XPS structure was established to yield conclusions on the degree of participation of the U6p,5f electrons in the chemical bond, uranium close environment structure and interatomic distances in oxides. Total contribution of the IVMO electrons to the covalent part of the chemical bond can be comparable with that of the OVMO electrons. It has to be noted that the IVMO formation can take place in compounds of any elements from the periodic table. It is a novel scientific fact in solid-state chemistry and physics.http://www.doiserbia.nb.rs/img/doi/1451-3994/2004/1451-39940402003T.pdfX-ray photoelectron spectroscopyconversion electron spectroscopyX-ray emission spectraresonant X-ray emission spectraX-ray absorption spectroscopyresonant X-ray photoelectron spectroscopy
spellingShingle Teterin Yury A.
Teterin Anton Yu.
Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
Nuclear Technology and Radiation Protection
X-ray photoelectron spectroscopy
conversion electron spectroscopy
X-ray emission spectra
resonant X-ray emission spectra
X-ray absorption spectroscopy
resonant X-ray photoelectron spectroscopy
title Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
title_full Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
title_fullStr Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
title_full_unstemmed Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
title_short Modern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
title_sort modern x ray spectral methods in the study of the electronic structure of actinide compounds uranium oxide uo2 as an example
topic X-ray photoelectron spectroscopy
conversion electron spectroscopy
X-ray emission spectra
resonant X-ray emission spectra
X-ray absorption spectroscopy
resonant X-ray photoelectron spectroscopy
url http://www.doiserbia.nb.rs/img/doi/1451-3994/2004/1451-39940402003T.pdf
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