Tuning Lanthanide Binding with Phenanthroline-Based Diamides via Electron-Donating and Electron-Withdrawing Groups.

ABSTRACT: Efficient separation of lanthanides is challenging due to their similar sizes and properties but continues to attract intensive theoretical and experimental interest. 1,10-phenanthroline-2,9-diamide (DAPhen) ligands are promising in solvent extraction separations of f-elements due to their combinations of soft N and hard O donors, but how the conjugated electrons and charge densities on the N and O donors can be further manipulated to tune the binding with lanthanides has not been fully explored. By substituting hydrogen atoms on the phenanthroline (Phen) skeleton with various electron-donating and electron-withdrawing groups, here we assess their impact on the complexation properties crucial for lanthanide separation. Employing advanced quantum chemical techniques, we have found that thes

SUBMITTER: Pozdeev AS 

PROVIDER: S-EPMC12581133 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature