| AVS 65th International Symposium & Exhibition | |
| Actinides and Rare Earths Focus Topic | Friday Sessions |
| Session AC+MI+SA-FrM |
| Session: | Actinide and Rare Earth Theory and Related Measurements |
| Presenter: | Wibe de Jong, Lawrence Berkeley National Laboratory |
| Authors: | W.A. de Jong, Lawrence Berkeley National Laboratory J.K. Gibson, Lawrence Berkeley National Laboratory R.J. Abergel, Lawrence Berkeley Lab, University of California, Berkeley |
| Correspondent: | Click to Email |
Fundamental insights into the role of 5f electrons in the redox chemistry of actinides is essential for predicting the fate and controlling the behaviour of nuclear materials in the ecosystem, as well as for developing new advanced applications in energy, medicine and forensics. In recent years computational chemistry has become a key pillar of multidisciplinary actinide research, advancing the fundamental understanding of actinide chemistry through strong synergies between experiment and simulations. We will present some recent multidisciplinary gas-phase thermochemistry and spectroscopy efforts focused on understanding the role of metal-ligand interactions on the oxidation states of actinides across the series.