Issue 12, 2005

A very short uranium–uranium bond: The predicted metastable U22+

Abstract

Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U22+ system has a large number of low-lying electronic states with S of 0 to 2 and Λ ranging from zero to ten. These states share a very small bond length of about 2.30 Å, compared to 2.43 Å in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.

Graphical abstract: A very short uranium–uranium bond: The predicted metastable U22+

Article information

Article type
Communication
Submitted
21 Apr 2005
Accepted
06 May 2005
First published
13 May 2005

Phys. Chem. Chem. Phys., 2005,7, 2415-2417

A very short uranium–uranium bond: The predicted metastable U22+

L. Gagliardi, P. Pyykkö and B. O. Roos, Phys. Chem. Chem. Phys., 2005, 7, 2415 DOI: 10.1039/B505593H

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