Calculated optical and magnetic properties of hexafluorouranate (V) anion: UF6-

Ramiro Arratia-Pérez, Lucia Hernandez-Acevedo, Gulzari L. Malli

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)

Abstract

The optical and magnetic properties of hexafluorouranate (V) anion U-F bound was discussed. The Dirac scattered wave calculation was also performed at the optimized U-F bond distances using the first order pertubational procedure. Orbital contributions from unquenched orbital angular contributes significantly to the Zee man effects as well as the 235U hyperfine interactions. It was observed that the close agreement between theory and experiments for the Zeeman splitting suggests that the use of four component Dirac molecular wave functions is necessary while a relativistic treatment taking into account double group.

Original languageEnglish
Pages (from-to)7743-7747
Number of pages5
JournalJournal of Chemical Physics
Volume121
Issue number16
DOIs
Publication statusPublished - 22 Oct 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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