Open AccessModern x-ray spectral methods in the study of the electronic structure of actinide compounds: Uranium oxide UO2 as an example
Author(s) -
Yury A. Teterin,
A. Yu. Teterin
Publication year - 2004
Publication title -
nuclear technology and radiation protection
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.31
H-Index - 16
eISSN - 1452-8185
pISSN - 1451-3994
DOI - 10.2298/ntrp0402003t
Subject(s) - uranium , x ray photoelectron spectroscopy , electronic structure , chemical bond , atomic physics , electron , valence electron , valence (chemistry) , uranium oxide , chemistry , resonance (particle physics) , actinide , auger electron spectroscopy , chemical state , materials science , physics , inorganic chemistry , nuclear magnetic resonance , computational chemistry , nuclear physics , organic chemistry , metallurgy
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