Extraction of uranyl from spent nuclear fuel wastewater via complexation-a local vibrational mode study.

ABSTRACT:

Context

The efficient extraction of uranyl from spent nuclear fuel wastewater for subsequent reprocessing and reuse is an essential effort toward minimization of long-lived radioactive waste. N-substituted amides and Schiff base ligands are propitious candidates, where extraction occurs via complexation with the uranyl moiety. In this study, we extensively probed chemical bonding in various uranyl complexes, utilizing the local vibrational modes theory alongside QTAIM and NBO analyses. We focused on (i) the assessment of the equatorial O-U and N-U bonding, including the question of chelation, and (ii) how the strength of the axial U = O bonds of the uranyl moiety changes upon complexation. Our results reveal that the strength of the equatorial uranium-ligand interactions correlates

SUBMITTER: Peluzo BMTC 

PROVIDER: S-EPMC11614994 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature