Dr. Valérie VALLET donnera une conférence intitulée « Probing luminescence properties and photo reactivity of f-element complexes with ab initio methods » le lundi 13 Novembre 2023 à 9h30 au Laboratoire CEISAM en salle Marie Curie.
Dr. Valérie Vallet is a DR EPST in the PCMT team of the « Laboratoire de Physiques des lasers, atomes et molecules » (UMR 8523) at the University of Lille.
Abstract
Probing luminescence properties and photo reactivity of f-element complexes with ab initio methods
In the realm of lanthanide and actinide elements, certain species like trivalent cerium (Ce3+) and hexavalent uranium (U6+) exhibit luminescence in the visible range. The luminescence properties of these elements are significantly influenced by their interactions with ligands, which alter their electronic structure, affecting characteristics such as emitted wavelength and lifetimes.
To investigate and understand these luminescence properties, techniques like Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS) are commonly employed. However, many systems of interest involve complex chemical compositions in solution, making it challenging to identify and characterize each species based on spectroscopic data alone.
In this seminar, we will explore how relativistic correlated quantum chemical calculations can serve as a valuable tool for unraveling the underlying factors behind the luminescence properties of species like uranyl(VI) complexes. These calculations can provide insights into the origins of luminescence, potential photochemical reactivity, and the interpretation of observed vibronic progressions in the spectral data. This combination of experimental and computational approaches offers a more comprehensive understanding of the luminescence behavior of these fascinating elements.