Bent cis d/sup 0/ MoO/sub 2//sup 2 +/ vs linear trans d/sup 0/f/sup 0/ UO/sub 2//sup 2 +/: a significant role for nonvalence 6p orbitals in uranyl
Journal Article
·
· Inorg. Chem.; (United States)
OSTI ID:5129648
The marked preference of uranyl, UO/sub 2//sup 2 +/, d/sup 0/f/sup 0/, for linear geometries, while MoO/sub 2//sup 2 +/ and isoelectronic d/sup 0/ molecules are bent, is not due to oxygen 2p-actinide 5f..pi.. bonding. Instead we trace the geometrical effect to a substantial involvement of formally inner-shell 6p orbitals of sigma symmetry on uranium which interact significantly with xoygen p sigma orbitals and activate these for sigma bonding with U 5f.
- Research Organization:
- Cornell Univ., Ithaca, NY
- OSTI ID:
- 5129648
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 19:9; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400201 -- Chemical & Physicochemical Properties
400702* -- Radiochemistry & Nuclear Chemistry-- Properties of Radioactive Materials
ACTINIDE COMPOUNDS
CATIONS
CHARGED PARTICLES
ELECTRONIC STRUCTURE
IONS
MOLYBDENUM COMPOUNDS
OXYGEN COMPOUNDS
SYMMETRY
TRANSITION ELEMENT COMPOUNDS
URANIUM COMPOUNDS
URANYL COMPOUNDS
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400201 -- Chemical & Physicochemical Properties
400702* -- Radiochemistry & Nuclear Chemistry-- Properties of Radioactive Materials
ACTINIDE COMPOUNDS
CATIONS
CHARGED PARTICLES
ELECTRONIC STRUCTURE
IONS
MOLYBDENUM COMPOUNDS
OXYGEN COMPOUNDS
SYMMETRY
TRANSITION ELEMENT COMPOUNDS
URANIUM COMPOUNDS
URANYL COMPOUNDS