OHER Hanna : Development of innovate spectral modelling methods for the investigation of actinide-ligand interactions using time-resolved laser-induced fluorescence spectroscopy
Résumé de thèse : The interactions between actinides and organic molecules such as those used in solvent extraction processes have been the subject of many studies on the coordination and stability of the complexes. These studies require the combination of speciation techniques at low level, and modelling methods, applied to each type of ligands. Time-resolved laser-induced fluorescence spectroscopy (TRLFS) is able to probe the speciation of U(VI) through the analysis of the luminescence emission of the uranyl ion in the complexes. The objective of this PhD work is to understand the effect of U(VI)-ligand interactions on spectroscopic data for a chosen family of molecules, of interest in solvent extraction processes. First, ab initiomodelling will be applied to characterise U(VI) excited states after laser excitation. The main challenge will be to correctly model vibronic levels of the excited states that defines most of the spectroscopic transitions. These models will be tested and validated on experimental data of U(VI) organic solutions.
OHER Hanna - hanna.oher.etu.fr univ-lille
Directeur(s) de thèse : VALLET Valérie - REAL Florent et VERCOUTER Thomas (CEA-Saclay)