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
Link To Document :
بازگشت