Electronic Configuration Assignments for UO from Electric Dipole Moment Measurements.
Jiande HanAnh T LeTimothy C SteimleMichael C HeavenPublished in: The journal of physical chemistry letters (2022)
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 U 2+ (5 f 3 7 s )O 2- and U 2+ (5 f 2 7 s 2 )O 2- , 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 e ) of an electronic state should also manifest a value that is characteristic of the parent electronic configuration. μ e 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 e 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 U 2+ (5 f 3 7 s )O 2- and U 2+ (5 f 2 7 s 2 )O 2- configurations, respectively.
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