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 Ustynyuk; N E Borisova; V A Babain; I P Gloriozov; A Y Manuilov; S N Kalmykov; M Yu Alyapyshev; L I Tkachenko; E V Kenf; N A Ustynyuk

doi:10.1039/c5cc01620g

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

Chem Commun (Camb). 2015 May 1;51(35):7466-9. doi: 10.1039/c5cc01620g.

Authors

Yu A Ustynyuk¹, N E Borisova, V A Babain, I P Gloriozov, A Y Manuilov, S N Kalmykov, M Yu Alyapyshev, L I Tkachenko, E V Kenf, N A Ustynyuk

Affiliation

¹ Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow 119991, Russia. ustynyuk@nmr.chem.msu.ru.

PMID: 25828700
DOI: 10.1039/c5cc01620g

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.