Analysis of the crystal-field spectra of the actinide tetrafluorides. I. UF sub 4 , NpF sub 4 , and PuF sub 4
Journal Article
·
· Journal of Chemical Physics; (United States)
- Chemistry Division, Argonne National Laboratory, Argonne, Illinois (USA)
- Physics Department, University of Hong Kong (Hong Kong)
An interpretation of the low-temperature absorption spectra of AnF{sub 4} (An=U, Np, Pu) is presented. Using an effective operator Hamiltonian with orthogonalized free-ion operators and initializing crystal-field parameter values based on a superposition model calculation for An{sup 4+} sites with {ital C}{sub 2} symmetry, good agreement between the model calculations and experimentally observed absorption band structure could be obtained. Correlations with published magnetic and heat capacity measurements are discussed.
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 5159665
- Journal Information:
- Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 95:10; ISSN JCPSA; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Analysis of the crystal-field spectra of the actinide tetrafluorides. II. AmF[sub 4], CmF[sub 4], Cm[sup 4+]:CeF[sub 4], and Bk[sup 4+]:CeF[sub 4]
Temperature variation of the structural parameters in actinide tetrafluorides
Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree{endash}Fock and density functional methods: UF{sub 6}, NpF{sub 6}, and PuF{sub 6}
Journal Article
·
Mon Nov 14 23:00:00 EST 1994
· Journal of Chemical Physics; (United States)
·
OSTI ID:6841563
Temperature variation of the structural parameters in actinide tetrafluorides
Journal Article
·
Wed Nov 30 23:00:00 EST 1994
· Journal of Chemical Physics; (United States)
·
OSTI ID:6893174
Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree{endash}Fock and density functional methods: UF{sub 6}, NpF{sub 6}, and PuF{sub 6}
Journal Article
·
Tue Sep 01 00:00:00 EDT 1998
· Journal of Chemical Physics
·
OSTI ID:641511
Related Subjects
36 MATERIALS SCIENCE
360603* -- Materials-- Properties
ABSORPTION SPECTRA
ACTINIDE COMPOUNDS
CRYSTAL FIELD
CRYSTALS
ELECTRONIC STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HAMILTONIANS
LOW TEMPERATURE
MATHEMATICAL OPERATORS
MEDIUM TEMPERATURE
NEPTUNIUM COMPOUNDS
NEPTUNIUM FLUORIDES
PLUTONIUM COMPOUNDS
PLUTONIUM FLUORIDES
POLYCRYSTALS
QUANTUM OPERATORS
SPECTRA
SYMMETRY
TEMPERATURE DEPENDENCE
TRANSURANIUM COMPOUNDS
ULTRALOW TEMPERATURE
URANIUM COMPOUNDS
URANIUM FLUORIDES
360603* -- Materials-- Properties
ABSORPTION SPECTRA
ACTINIDE COMPOUNDS
CRYSTAL FIELD
CRYSTALS
ELECTRONIC STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HAMILTONIANS
LOW TEMPERATURE
MATHEMATICAL OPERATORS
MEDIUM TEMPERATURE
NEPTUNIUM COMPOUNDS
NEPTUNIUM FLUORIDES
PLUTONIUM COMPOUNDS
PLUTONIUM FLUORIDES
POLYCRYSTALS
QUANTUM OPERATORS
SPECTRA
SYMMETRY
TEMPERATURE DEPENDENCE
TRANSURANIUM COMPOUNDS
ULTRALOW TEMPERATURE
URANIUM COMPOUNDS
URANIUM FLUORIDES