Electronic Configuration Assignments for UO from Electric Dipole Moment Measurements
Journal Article
·
· Journal of Physical Chemistry Letters
- Emory Univ., Atlanta, GA (United States); Emory University
- Georgia Institute of Technology, Atlanta, GA (United States)
- Arizona State Univ., Tempe, AZ (United States)
- Emory Univ., Atlanta, GA (United States)
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+($5f^37s$)O2- and U2+($5f^27s^2$)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 ($$μ_e$$) 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. Here, the results clearly demonstrate that the ground state (X(1)4) and the first electronically excited state ((2)4) are derived from the U2+($5f^37s$)O2– and U2+($5f^27s^2$)O2– configurations, respectively.
- Research Organization:
- Emory Univ., Atlanta, GA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- FG02-01ER15153
- OSTI ID:
- 1906282
- Journal Information:
- Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 46 Vol. 13; ISSN 1948-7185
- Publisher:
- American Chemical SocietyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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