THE LOW-LYING STATES OF THE URANIUM MONOXIDE (UO) MOLECULE
Loading...
Date
1991
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Recent work on the UO molecule in the gas $phase^{1}$has led to the determination of the energies of five low-lying electronic states. Allowance for the stabilization of the outer 7s urbitals in relation to the inner 5f and 6d orbitals by the $O^{2-}$ ligand field according to Field’s $method^{2}$ shows that the lowest and first excited configurations of the bound ion in the $U^{2}+O^{2}$system are $5f^{3}7s$ (configuration 1) and $5f^{2}7s^{2}$ (configuration II), respectively. In the fit procedure for the $5f^{3}7s$ configuration, there were three variable parameters: the exchange interaction $G_{3}(=450 cm^{-1})$ between the outer 7s and 5f core electrons and two crystal field parameters $B^{2}(6000 cm^{-1})$ and $B^{4}(1500 cm^{-1})$. $B^{6}$ was held fixed at 0 $cm^{-1}$. The spin-orbit interaction parameter $\zeta$ was set equal to the value for $U^{-}$ in the $5f^{3}7s^{2}$ configuration: $\zeta =2100$ $cm^{-1}$. The energies for the $5f^{2}7s^{2}$ configuration (II) were calculated using the same values of the parameters as derived for the $5f^{3}7s(I)$ configuration. [FIGURE] This table summarizes our results (in $cm^{-1}$)for the states of UO with energies less than 8000 $cm^{-1}$, [$^{*}$Energy of (2) 4 state fixed at observed value]
Description
$^{1}$ L.A. Kaledin, A.N. Kulikov, A.I. Kobylyanskii, et al. Russ. [Phys. Chem. 61, 712, (1987). $^{2}$ R.W. Field Ber. Bunsenges. Phys. Chem. 86, 771 (1982).""
Author Institution: High Temperature Institute of the USSR, Academy of Sciences
Author Institution: High Temperature Institute of the USSR, Academy of Sciences