Nuclear Technology & Radiation Protection Journal


NT & RP Journal	X-RAY SPECTRAL STUDIES OF THE ELECTRONIC STRUCTURE OF URANYL FLUORITE UO₂F₂
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Vol. XIX, No. 2, Pp. 1-102 December 2004 UDC 621.039+614.876:504.06 YU ISSN 1451-3994 ....Back to Contents	Pages: 15 - 23 Authors: Igor O. UTKIN, Yury A. TETERIN, Vladimir A. TEREHOV, Mikhail V. RYZHKOV, Anton Yu. TETERIN, and Labud VUKCHEVICH Abstract This work interpreted the fine X-ray photoelectron spectral structure of the low binding energy electrons (0-40 eV) and X-ray O_4,5(U) emission spectral structure from UO₂F₂ taking into account the relativistic Xa discrete variation (RXa-DV) calculation for the [(UO₂)F₆]^4-(D_6h) cluster reflecting an uranium close environment in UO₂F₂. The U5f electrons were shown to participate directly in the chemical bond formation. The U6p electrons were shown to participate not only in formation of the inner valence molecular orbitals, but also in formation of the outer valence molecular orbitals. The inner valence molecular orbitals sequence order in the binding energy range 12-40 eV was established. It is important for development of the technique of interatomic distance determination in the axial direction and equatorial plane of uranyl compounds on the X-ray photoelectron spectral basis. Key words: X-ray photoelectron spectroscopy, outer and inner valence molecular orbitals FULL PAPER IN PDF FORMAT (770KB)
Vinča Institute of Nuclear Sciences :: Designed by milas :: July 2007 Last updated on September, 2010

Pages: 15 - 23

Authors: Igor O. UTKIN, Yury A. TETERIN, Vladimir A. TEREHOV, Mikhail V. RYZHKOV, Anton Yu. TETERIN, and Labud VUKCHEVICH

Abstract

This work interpreted the fine X-ray photoelectron spectral structure of the low binding energy electrons (0-40 eV) and X-ray O_4,5(U) emission spectral structure from UO₂F₂ taking into account the relativistic Xa discrete variation (RXa-DV) calculation for the [(UO₂)F₆]^4-(D_6h) cluster reflecting an uranium close environment in UO₂F₂. The U5f electrons were shown to participate directly in the chemical bond formation. The U6p electrons were shown to participate not only in formation of the inner valence molecular orbitals, but also in formation of the outer valence molecular orbitals. The inner valence molecular orbitals sequence order in the binding energy range 12-40 eV was established. It is important for development of the technique of interatomic distance determination in the axial direction and equatorial plane of uranyl compounds on the X-ray photoelectron spectral basis.

Key words: X-ray photoelectron spectroscopy, outer and inner valence molecular orbitals

FULL PAPER IN PDF FORMAT (770KB)