Electronic Configuration Assignments for UO from Electric Dipole Moment Measurements
Jiande Han1, Anh T Le2, Timothy C Steimle3
1Department of Chemistry, Emory University, Atlanta, Georgia30322, United States.
Abstract:
Diatomic UO has more than 48 bound states within 10000 cm-1 of the ground state. This electronic state congestion has been attributed to interleaved states from the electronic configurations U2+(5f37s)O2- and U2+(5f27s2)O2-, respectively. Ligand field theory predicts that each electronic configuration will exhibit states with distinguishable, characteristic vibrational and rotational constants. However, vibronic state mixing modifies the observed vibration-rotation constants, leading to uncertainty in the configurational assignments. The permanent electric dipole moment (μ) of an electronic state should also manifest a value that is characteristic of the parent electronic configuration. μ and other electrostatic and magnetostatic properties should be less influenced by the vibronic state mixing, providing more robust indicators for configurational assignments. In the present study, we have measured the μ values for four electronic states of UO. The results clearly demonstrate that the ground state (X(1)4) and the first electronically excited state ((2)4) are derived from the U2+(5f37s)O2- and U2+(5f27s2)O2- configurations, respectively.
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