Titre :

Unraveling the structure and the excited state dynamics of the aqueous cerium(III) ion by combined experimental and theoretical approaches

Auteur(s) :

Réal, Florent [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Vallet, Valérie [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Janicki, Rafał [Auteur]
Lindqvist-Reis, Patric [Auteur]
Institut für Nukleare Entsorgung [INE]

Titre de la manifestation scientifique :

46èmes Journées des Actinides (46th JdA)

Ville :

Alpes d'Huez

Pays :

France

Date de début de la manifestation scientifique :

2016-03-16

Date de publication :

2016-03-16

Discipline(s) HAL :

Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]

Résumé en anglais : [en]

Among the heavy ions, the Ce(III) ion, considered as a homologue of trivalent actinide ions, has interesting spectroscopic properties. A striking feature concerns the origin of the large red-shift in the luminescence ...
Lire la suite >Among the heavy ions, the Ce(III) ion, considered as a homologue of trivalent actinide ions, has interesting spectroscopic properties. A striking feature concerns the origin of the large red-shift in the luminescence spectrum in solution (357 nm) but not observed in crystal(312-330 nm). In the present work, we tried to find out a correlation between structural and spectroscopic properties of different cerium(III) hydrates, such as [Ce(H2O)n]3+ (n=8,9), [Ce(H2O)7Clm]3-m+ (m=1,2) and [Ce(H2O)6Cl2]+. The experimental results were supported by accurate quantum chemical electronic structure calculations on representative cluster models, extending thus the work of Kotzian and Rösch.1 This complementary approach enabled us to explore the potential energy landscape of the photo-dissociation reaction of a water molecule within the [Ce(H2O)9]3+* cation in the excited state, supposed to be responsible of the large red-shift. References[1] Kotzian, M.; Rösch, N. J. Phys. Chem. 1991, 96, 7288–7293.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Projet ANR :

Physiques et Chimie de l'Environnement Atmosphérique

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL