Abstract
Abstract A relativistic MS-Xα method in combination with the ligand field theory has been applied to locate and assign the electronic transitions in the 5f1 species of UOX52− (X=F, Cl and Br). The data were compared with previous results obtained by using the ligand field approach. It has been concluded that the distortion in the octahedral structure of UX6− due to the replacement of one of the X atoms by an oxygen atom resulted in a compression of the axial ligand rather than elongation. In this respect three tetragonal parameters have been used in treating the tetragonal compression. Spin-orbit coupling terms have been invoked in calculations to improve values for the resulting energy of transitions.
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