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N,N'-二烷基-N,N'-二芳基-1,10-菲咯啉-2,9-二甲酰胺作为具有高且异常选择性的稀土元素分离供体配体。密度泛函理论计算和实验研究。

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.

作者信息

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

机构信息

Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow 119991, Russia.

出版信息

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

DOI:10.1039/c5cc01620g
PMID:25828700
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.

摘要

N,N'-二烷基-N,N'-二芳基-1,10-菲咯啉-2,9-二甲酰胺(IV)经预测(密度泛函理论模拟),随后通过实验证明是用于镧系元素萃取分离的高效供体配体,具有高且异常的选择性。镧系阳离子在水相 - 极性有机溶剂两相体系中的分配系数D随Ln(3+)原子序数的增加而降低。发现相邻镧系离子的选择性因子SFLn1/Ln2约为3。

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