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

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

doi:10.1063/1.1799891

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

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

Exact Sciences School

Research output: Contribution to journal › Article › peer-review

31 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 language	English
Pages (from-to)	7743-7747
Number of pages	5
Journal	Journal of Chemical Physics
Volume	121
Issue number	16
DOIs	https://doi.org/10.1063/1.1799891
Publication status	Published - 22 Oct 2004

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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

Abstract

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