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| Hauptseite > Publikationsdatenbank > 6-(6-Methyl-1,2,4,5-Tetrazine-3-yl)-2,2′-Bipyridine: A N-Donor Ligand for the Separation of Lanthanides(III) and Actinides(III) |
| Hauptseite > Publikationsdatenbank > 6-(6-Methyl-1,2,4,5-Tetrazine-3-yl)-2,2′-Bipyridine: A N-Donor Ligand for the Separation of Lanthanides(III) and Actinides(III) |
| Journal Article | FZJ-2024-05168 |
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2024
American Chemical Society
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.inorgchem.4c01793 doi:10.34734/FZJ-2024-05168
Abstract: Here, we report the synthesis of the 6-(6-methyl-1,2,4,5-tetrazine-3-yl)-2,2′-bipyridine (MTB) ligand that has been developed for lanthanide/actinide separation. A multimethod study of the complexation of MTB with trivalent actinide and lanthanide ions is presented. Single-crystal X-ray diffraction measurements reveal the formation of [Ce(MTB)2(NO3)3], [Pr(MTB)(NO3)3H2O], and [Ln(MTB)(NO3)3MeCN] (Ln = Nd, Sm, Eu, Gd). In addition, the complexation of Cm(III) with MTB in solution was studied by time-resolved laser fluorescence spectroscopy. The results show the formation of [Cm(MTB)1–3]3+ complexes, which occur in two different isomers. Quantum chemical calculations reveal an energy difference between these isomers of 12 kJ mol–1, clarifying the initial observations made by time-resolved laser fluorescence spectroscopy (TRLFS). Furthermore, quantum theory of atoms in molecules (QTAIM) analysis of the Cm(III) and Ln(III) complexes was performed, indicating a stronger covalent contribution in the Cm–N interaction compared to the respective Ln–N interaction. These findings align well with extraction data showing a preferred extraction of Am and Cm over lanthanides (e.g., max. SFAm/Eu = 8.3) at nitric acid concentrations <0.1 mol L–1 HNO3.
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