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In recent decades, N-heterocyclic ligands have been extensively used in the separation of lanthanides/actinides, whereas the selective extraction of amercium or curium has been very challenging. Using density functional theory… Click to show full abstract
In recent decades, N-heterocyclic ligands have been extensively used in the separation of lanthanides/actinides, whereas the selective extraction of amercium or curium has been very challenging. Using density functional theory calculations, this study is devoted to the investigation of the binding affinity of a series of modelling pyridine ligands with AmIII and CmIII. The structure-property correlations between the amercium and curium systems and the binding affinity were obtained, and promising strategies for efficient separation of AmIII/CmIII were proposed.
Journal Title: Dalton transactions
Year Published: 2019
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