6533b82bfe1ef96bd128e090
RESEARCH PRODUCT
A very short uranium-uranium bond: The predicted metastable U22+
Laura GagliardiBjörn O. RoosPekka Pyykkösubject
General Physics and Astronomychemistry.chemical_element02 engineering and technology010402 general chemistry7. Clean energy01 natural sciencesMetastabilityTheoretical chemistryPhysical and Theoretical ChemistryWave function010405 organic chemistryBondCoulomb explosionActinideGeneral MedicineUranium021001 nanoscience & nanotechnology3. Good health0104 chemical sciencesBond lengthchemistryddc:540Physical chemistryAtomic physicsRelativistic quantum chemistry0210 nano-technologydescription
Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U(2)2+ system has a large number of low-lying electronic states with S of 0 to 2 and Lambda ranging from zero to ten. These states share a very small bond length of about 2.30 A, compared to 2.43 A in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-01-01 |