• Title of article

    Could uranium(XII)hexoxide, UO6 (Oh) exist?

  • Author/Authors

    Pyykkِ، نويسنده , , Pekka and Runeberg، نويسنده , , Nino and Straka، نويسنده , , Michal and Dyall، نويسنده , , Kenneth G، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    5
  • From page
    415
  • To page
    419
  • Abstract
    The formally dodecavalent, octahedral UXIIO6 is found to be a local energy minimum at several theoretical levels, including quasirelativistic single-reference (HF, B3LYP, MP2 and CCSD(T)) and multireference CI approaches. The fully relativistic, single-configuration Dirac–Fock (DF) approach gives similar U–O bond lengths but has one imaginary frequency. In this hypothetical compound the largest formal oxidation state of uranium would be increased from +VI to +XII.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1773324