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News Academy of Engineering Sciences A.M. Prokhorov

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The x-ray spectral study of the о(f)2s, 2р electronic state density in tho2 and thf4
A.Yu. Teterin M.V. Ryzhkov Y.A. Teterin E.Z. Kurmaev K.I. Maslakov K.E. Ivanov V.V. Fedorenko L.V. Elohina

The structure of the x-ray photoelectron, x-ray O(F)Kα-emission
spectra from ThO2 and ThF4 as well as Auger OKLL spectra
from ThO2 was studied. The spectral structure was analyzed
using the relativistic Xα discrete variation calculations of the
electronic structure of the ThO8
12-(D4h) and ThF8
4-(C2) clusters
reflecting thorium close environment in solid ThO2 and ThF4.
As a result it was theoretically found and experimentally confirmed
that during the chemical bond formation the filled
O(F)2p electronic states are distributed mainly in the binding
energy range of the outer valence molecular orbitals from 0
to 13 eV, while the filled O(F)2s electronic states – in the binding
energy range of the inner valence molecular orbitals from
13 to 35 eV. It was shown that the Auger OKLL spectral structure
from ThO2 characterizes not only the O2p electronic state
density distribution, but also the O2s electronic state density
distribution. It agrees withy the suggestion on the participation
of the O2s electrons in formation of the inner valence molecular
orbitals in the binding energy range of 13 - 35 eV. The
relative Auger OKL2-3L2-3 peak intensity was shown to reflect
quantitatively the O2p electronic state density on the oxygen
ion in ThO2.
Ключевые слова: x-ray photoelectron, emission, Auger- spectroscopy,
inner (IVMO) and outer (OVMO) valence molecular orbitals.

Contacts: E-mail: antonxray@yandex.ru

Pp. 73-79.

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