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

Published inPCCP. Physical chemistry chemical physics, vol. 7, no. 12, p. 2415-2417
Publication date2005
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 ranging from zero to ten. These states share a very small bond length of about 2.30, compared to 2.43 in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.

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Citation (ISO format)
GAGLIARDI, Laura, PYYKKÖ, Pekka, ROOS, Björn O. A very short uranium-uranium bond: The predicted metastable U22+. In: PCCP. Physical chemistry chemical physics, 2005, vol. 7, n° 12, p. 2415–2417. doi: 10.1039/b505593h
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ISSN of the journal1463-9076
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