Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case

Ivan Infante, Lester Andrews, Xeufeng Wang, Laura Gagliardi

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

Ground state reversal from a neon to an argon matrix is confirmed by CASSCF/CASPT2 calculations (see picture) and new stepwise laser-ablated experiments.

Original languageEnglish (US)
Pages (from-to)12804-12807
Number of pages4
JournalChemistry - A European Journal
Volume16
Issue number43
DOIs
StatePublished - Nov 15 2010

Keywords

  • density functional calculations
  • laser spectroscopy
  • matrix isolation
  • noble gases
  • uranium

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