Laser spectroscopy of UO: Characterization and assignment of states in the 0- to 3-eV range, with a comparison to the electronic structure of ThO

Journal Article · Tue Mar 01 04:00:00 EST 1994 · Journal of Molecular Spectroscopy; (United States)

DOI:https://doi.org/10.1006/jmsp.1994.1055· OSTI ID:7270740

Kaledin, L A; McCord, J E; Heaven, M C ^[1]

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1. Emory Univ., Atlanta, GA (United States). Dept. of Chemistry

Wavelength-resolved fluorescence excitation techniques have been used to record 33 electronic transitions of UO at a resolution of 0.03 cm[sup [minus]1]. Nine low-lying electronic states that correlated with either U[sup 2+](5[line integral][sup 3]7s)O[sup 2[minus]] or U[sup 2+](5[line integral][sup 2]7s[sup 2])O[sup 2[minus]] were characterized. With few exceptions, [Omega] assignments were unambiguously determined from observations of the first lines in at least two rotational branches. Accurate term energies and rotational constants are reported. Deperturbed constants of [omega][sub e] = 846.5 cm[sup [minus]1] and R[sub e] = 1.8383 [angstrom] have been determined for the ground state of the 5[line integral][sup 3]7s configuration, and [omega][sub e] = 934.9 cm[sup 1] and R[sub e] = 1.7932 [angstrom] for states of the 5[line integral][sup 2]7s[sub 2] configuration. Ligand field theory models were used to analyze the low-energy electronic structure of UO. Ligand field theory calculations were also used in an attempt to provide configurational assignments for the excited states of UO and ThO. Experimentally derived values for [Delta]B[sub 0][sup 0](nl/n[prime]l[prime]) parameters were used to predict the electronic structures of UO and UO[sup +]. The energies of 23 electronic configurations of UO, and 19 electronic configurations of UO[sup +], have been calculated. The density distribution of the bound state of UO and UO[sup +] up to their ionization limits were also calculated.

• OSTI ID: 7270740
• Journal Information: Journal of Molecular Spectroscopy; (United States), Journal Name: Journal of Molecular Spectroscopy; (United States) Vol. 164:1; ISSN JMOSA3; ISSN 0022-2852
• Country of Publication: United States
• Language: English

Related Subjects

664400* -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ACTINIDE COMPOUNDS
CHALCOGENIDES
CHARGED PARTICLES
COMPARATIVE EVALUATIONS
DATA
DATA ANALYSIS
ELECTRONIC STRUCTURE
EVALUATION
EXPERIMENTAL DATA
FIELD THEORIES
INFORMATION
IONS
MOLECULAR IONS
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
THEORETICAL DATA
THORIUM COMPOUNDS
THORIUM OXIDES
URANIUM COMPOUNDS
URANIUM OXIDES