Computation-Aided Development of Next-Generation Extractants for Trivalent Actinide and Lanthanide Separation.

ABSTRACT: The chemical similarities between trivalent actinides [An(III)] and lanthanides [Ln(III)] present a significant challenge in differentiating and separating them, which is a key step toward closing the nuclear fuel cycle. However, the existing separation approaches commonly suffer from demerits such as inadequate separation factors, limited stripping efficiency, and undesired coextraction. In this study, a novel unsymmetrical phenanthroline-derived amide-triazine (Et-Tol-CyMe₄-ATPhen) extractant was first designed and then screened with theoretical computation. Meanwhile, they were successfully synthesized by using a de novo construction method. As expected, Et-Tol-CyMe₄-ATPhen exhibited a favorable extraction ability for Am(III) and minimal extraction for Ln(II

SUBMITTER: Yang X 

PROVIDER: S-EPMC11672149 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature