Model treatment of the influence of cations in the second coordination sphere on the electronic structure of the pentafluorodioxouranate(VI) ion

Journal Article · Sun Sep 01 00:00:00 EDT 1985 · J. Struct. Chem. (Engl. Transl.); (United States)

DOI:https://doi.org/10.1007/BF00754237· OSTI ID:5905325

Sergienko, V I; Gutsev, G L; Ignat'eva, L N

The authors present the results of a nonrelativistic DV-X calculation of the electronic structure of an isolated penta-fluorodioxouranate ion for the UO/sub 2/F/sub 5//sup 3 -/-Li/sub 4//sup 3 +/ system. The U-Li distances were selected as the smallest possible distances with consideration of the ionic radii of uranium, oxygen, fluorine, and lithium. The result obtained, the authors say, is probably a consequence of the restricted nature of the model adopted.

• Research Organization: Institute of Chemistry, Academy of Sciences of the USSR
• OSTI ID: 5905325
• Journal Information: J. Struct. Chem. (Engl. Transl.); (United States), Vol. 26:2; Other Information: Translated from Zhurnal Strukturnoi Khimii, Vol. 26, No. 2, pp. 167-170, March-April, 1985
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
LITHIUM COMPOUNDS
COORDINATION VALENCES
ELECTRONIC STRUCTURE
OXYFLUORIDES
URANIUM COMPOUNDS
ATOMIC RADII
CHEMICAL BONDS
COORDINATION NUMBER
CRYSTAL STRUCTURE
INTERATOMIC DISTANCES
IONIC COMPOSITION
IONIZATION POTENTIAL
LIGANDS
MATHEMATICAL MODELS
ACTINIDE COMPOUNDS
ALKALI METAL COMPOUNDS
DISTANCE
FLUORINE COMPOUNDS
HALOGEN COMPOUNDS
OXYGEN COMPOUNDS
VALENCE
360602* - Other Materials- Structure & Phase Studies