A very short uranium-uranium bond: The predicted metastahle U 22+

Laura Gagliardi, Pekka Pyykkö, Björn O. Roos

Research output: Contribution to journalArticle

63 Scopus citations

Abstract

Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U2 2+ system has a large number of low-lying electronic states with S of 0 to 2 and A 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 U 2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.

Original languageEnglish (US)
Pages (from-to)2415-2417
Number of pages3
JournalPhysical Chemistry Chemical Physics
Volume7
Issue number12
DOIs
StatePublished - Jun 21 2005

Fingerprint Dive into the research topics of 'A very short uranium-uranium bond: The predicted metastahle U <sub>2</sub><sup>2+</sup>'. Together they form a unique fingerprint.

  • Cite this