Influence of the First Coordination of Uranyl on Its Luminescence Properties: A Study of Uranyl Binitrate with N,N-Dialkyl Amide DEHiBA and Water

• DOI: 10.1021/acs.inorgchem.1c02618
• Publication Date: 2021-12-09T16:13:32Z
• Authors: Hanna Oher; Geoffroy Ferru; Laurent Couston; Laurence Berthon; Dominique Guillau...; Florent Réal; Thomas Vercouter; Valérie Vallet
• Keywords: Uranyl; Conformational isomerism; Coordination sphere; Coordination complex

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