A very short uranium-uranium bond: The predicted metastable U-2(2+)

Research output: Contribution to journalArticle

Abstract

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 angstrom, compared to 2.43 angstrom 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.

Details

Authors
  • L Gagliardi
  • P Pyykko
  • Björn Roos
Organisations
Research areas and keywords

Subject classification (UKÄ)

  • Theoretical Chemistry
Original languageEnglish
Pages (from-to)2415-2417
JournalPhysical Chemistry Chemical Physics
Volume7
Issue number12
Publication statusPublished - 2005
Publication categoryResearch
Peer-reviewedYes

Bibliographic note

The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)