N,N'-Dialkyl-N,N'-diaryl-1,10-phenanthroline-2,9-dicar bo xamides as donor ligands for separation of rare earth elements with a high and unusual selectivity. DFT computational and experimental studies

N,N'-Dialkyl-N,N'-diaryl-1,10-phenanthroline-2,9-dicar bo xamides (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 Dof lanthanide...

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Published inChemical communications (Cambridge, England) Vol. 51; no. 35; pp. 7466 - 7469
Main Authors Ustynyuk, YuA, Borisova, N E, Babain, V A, Gloriozov, I P, Manuilov, A Y, Kalmykov, S N, Alyapyshev, MYu, Tkachenko, LI, Kenf, E V, Ustynyuk, NA
Format Journal Article
LanguageEnglish
Published 01.04.2015
Subjects
Atomic properties
Computer simulation
Lanthanides
Ligands
Rare earth elements
Selectivity
Separation
Solvents
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Summary:N,N'-Dialkyl-N,N'-diaryl-1,10-phenanthroline-2,9-dicar bo xamides (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 Dof lanthanide cations in two-phase aqueous solution-polar organic solvent decrease with increasing Ln super(3+) atomic number. The selectivity factors SF sub(Ln1/Ln2) for adjacent lanthanide ions were found to be about 3.
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ISSN:1359-7345
1364-548X
DOI:10.1039/c5cc01620g