Titre :

Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water

Auteur(s) :

Oher, Hanna [Auteur correspondant]
Physico-Chimie Moléculaire Théorique [PCMT]
Service d'études analytiques et de réactivité des surfaces [SEARS]
Ferru, Geoffroy [Auteur]
Commission des méthodes d'analyse du CEA [CETAMA]
Couston, Laurent [Auteur]
Commission des méthodes d'analyse du CEA [CETAMA]
Berthon, Laurence [Auteur]
Commission des méthodes d'analyse du CEA [CETAMA]
Guillaumont, Dominique [Auteur]
Commission des méthodes d'analyse du CEA [CETAMA]
Réal, Florent [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Vercouter, Thomas [Auteur]
Service d'études analytiques et de réactivité des surfaces [SEARS]
Vallet, Valérie [Auteur correspondant]
Physico-Chimie Moléculaire Théorique [PCMT]

Titre de la revue :

INORGANIC CHEMISTRY

Pagination :

890–901

Éditeur :

American Chemical Society

Date de publication :

2022-01-17

ISSN :

0020-1669

Mot(s)-clé(s) en anglais :

uranyl
fluorescence spectroscopy
ab initio

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique
Chimie/Chimie de coordination

Résumé en anglais : [en]

Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of ...
Lire la suite >Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of UO₂(NO₃)₂(L)₂ as it has been confirmed by EXAFS, XRD and TRLFS measurements. In this study, the L ligands are two molecules of N,N-di-(ethyl- 2-hexyl)isobutyramide (DEHiBA) monoamide used to bind uranyl in its first coordination sphere. DEHiBA ligands can coordinate uranyl in either trans- or cis-positions with respect to the nitrate ligands and these two conformers may co-exist in solution. In order to use luminescence spectroscopy as a speciation technique, it is important to determine whether or not these conformers can be discriminated by their spectroscopic properties. To answer this question, the spectra of trans- and cis-UO₂(NO₃)₂(DEiBA)₂ conformers were modeled with ab initio methods and compared to the experimental time-resolved luminescence spectra on the UO₂(NO₃)₂(DEHiBA)₂ systems. Moreover, the hydrated uranyl binitrate UO₂(NO₃)₂(H₂O)₂ complexes in the same trans and cis configurations were modeled to quantify the impact of organic DEHiBA on the luminescence properties.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Projet ANR :

Physiques et Chimie de l'Environnement Atmosphérique
ULNE

Collections :

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

Source :

Harvested from HAL