N,N′-Dialkyl-N,N′-diaryl-1,10-phenanthroline-2,9-dicarboxamides as donor ligands for separation of rare earth elements with a high and unusual selectivity. DFT computational and experimental studies
Yu. A. UstynyukDepartment of ChemistryNataliya E. BorisovaDepartment of ChemistryВ. А. БабаинITMO UniversityIgor P. GloriozovDepartment of ChemistryA. Y. ManuilovDepartment of ChemistryStepan N. KalmykovDepartment of ChemistryM. Yu. AlyapyshevITMO UniversityЛ. И. ТкаченкоKhlopin Radium InstituteE. KenfKhlopin Radium InstituteNikolai A. UstynyukA.N. Nesmeyanov Institute of Organoelement Compounds
2015en
ABI
Abstract
N,N'-Dialkyl-N,N'-diaryl-1,10-phenanthroline-2,9-dicarboxamides (IV) were predicted (DFT simulation) and then were proved experimentally to be efficient donor ligands with high and unusual selectivity for the extraction separation of lanthanides. Distribution coefficients D of lanthanide cations in two-phase aqueous solution-polar organic solvent decrease with increasing Ln(3+) atomic number. The selectivity factors SFLn1/Ln2 for adjacent lanthanide ions were found to be about 3.
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