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.
|Número de páginas||5|
|Publicación||Journal of Chemical Physics|
|Estado||Publicada - 22 oct. 2004|
Áreas temáticas de ASJC Scopus
- Física y astronomía (todo)
- Química física y teórica