NDLI: Resonant emission of UO$_{2}$, U$_{3}$O$_{8}$, and UO$_{2+x }$ valence electrons under SR excitation near the O$

Content Provider	SpringerLink
Author	Teterin, A. Yu. Ryzhkov, M. V. Teterin, Yu. A. Maslakov, K. I. Reich, T. Molodtsov, S. L.
Copyright Year	2011
Abstract	The structure of the resonant electron emission (REE) spectra of UO$_{2}$ (REE appears under the excitation with synchrotron radiation near the O$_{4,5}$(U) absorption edge at ∼100 eV and ∼110 eV) is studied with regard to the X-ray O$_{4,5}$(U) absorption spectrum of UO$_{2}$ and a quantitative scheme of molecular orbitals based on the X-ray electron spectroscopy data and the results of a relativistic calculation of the electronic structure of UO$_{2}$. The structure of the REE spectra of U$_{3}$O$_{8}$ and UO$_{2+x }$ is studied for comparison, and the effect of the uranium chemical environment in oxides on it is found. The appearance of such a structure reflects the processes of excitation and decay involving the U5d and electrons of the outer valence MOs (OVMOs, from 0 to ∼13 eV) and inner valence MOs (IVMOs, from ∼13 eV to ∼35 eV) of the studied oxides. It is noted that REE spectra show the partial density of states of U6p and U5f electrons. Based on the structure of REE spectra, it is revealed that U5f electrons directly participate (without losing the f nature) in the chemical bonding of uranium oxides and are delocalized within CMOs (in the middle of the band), which results in the enhancement of the intensity of the REE spectra of CMO electrons during resonances. The U6d electrons are found to be localized near the bottom of the outer valence band and are observed in the REE spectra of the studied oxides as a characteristic maximum at 10.8 eV. It is confirmed that U6p electrons are effectively involved in the formation of IVMOs, which leads to the appearance of the structure in the region of IVMO electron energies during resonances. This structure depends on the chemical environment of uranium in the considered oxides.
Starting Page	295
Ending Page	303
Page Count	9
File Format	PDF
ISSN	00224766
Journal	Journal of Structural Chemistry
Volume Number	52
Issue Number	2
e-ISSN	15738779
Language	English
Publisher	SP MAIK Nauka/Interperiodica
Publisher Date	2011-05-27
Publisher Place	Dordrecht
Access Restriction	Subscribed
Subject Keyword	resonance emission of valence electrons synchrotron radiation uranium oxides Physical Chemistry Inorganic Chemistry Solid State Physics Atomic/Molecular Structure and Spectra Atomic, Molecular, Optical and Plasma Physics
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Inorganic Chemistry Physical and Theoretical Chemistry

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