Wydział Chemii

Mirosław Karbowiak

Janusz Drożdżyński

2007

Chemical Physics

340

187-196

10.1016/j.chemphys.2007.08.017

Naukowa

Angielski

Artykuł

The first low temperature absorption spectrum and crystal-field analysis of uranium trifluoride are presented. The measurements have been performed on a polycrystalline sample in the 4000–30,000 cm⁻¹ range at 4.2 K. One may notice the largest crystal-field splitting of SLJ multiplets among all so far reported data for uranium(III) as well as in polycrystalline samples and U³⁺ doped single crystals. In the presented analysis 94 experimental crystal-field levels, observed in 0–24,116 cm⁻¹ energy range, have been identified and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the C₂ site symmetry. In order to exclude a possible influence of inaccuracy in the description of the free-ion multiplets on crystal-field parameters a number of additional freely varied parameters associated with the centroids of the free-ion multiplets were introduced. In the final step of the fitting procedure eight free-ion and 14 CF parameters were freely varied giving.The performed calculation procedure enabled the determination of good starting values, reliable crystal-field parameters and a small r.m.s. deviation.

https://doi.org/10.1016/j.chemphys.2007.08.017

http://www.elsevier.com