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 in | Chemical communications (Cambridge, England) Vol. 51; no. 35; pp. 7466 - 7469 |
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| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
01.04.2015
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| Abstract | 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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| AbstractList | 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. |
| Author | Ustynyuk, NA Borisova, N E Manuilov, A Y Tkachenko, LI Kalmykov, S N Ustynyuk, YuA Gloriozov, I P Babain, V A Alyapyshev, MYu Kenf, E V |
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| Snippet | 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... |
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| SubjectTerms | Atomic properties Computer simulation Lanthanides Ligands Rare earth elements Selectivity Separation Solvents |
| Title | 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 |
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