Ab initio study of the mechanism for photoinduced yl-oxygen exchange in uranyl(VI) in acidic aqueous solution.

Florent Réal (1, 2) , Valérie Vallet (1) , Ulf Wahlgren (2, 3) , Ingmar Grenthe (4)

1 PhLAM - Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523
2 Institute of Physics
3 NORDITA - Nordic Institute for Theoretical Physics
4 School of Chemical Sciences and Engineering, Department of Chemistry, Inorganic Chemistry

Mots clés: actinide; photo-chemistry; solvation; spectroscopy

Domaines: Chimie-Physique [physics.chem-ph]

Florent Réal, Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe. Ab initio study of the mechanism for photoinduced yl-oxygen exchange in uranyl(VI) in acidic aqueous solution.. Journal of the American Chemical Society, 2008, 130, pp.11742-11751. ⟨10.1021/ja8026407⟩. ⟨hal-00310979⟩