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@ARTICLE{Greif:1029558,
      author       = {Greif, Gerlinde and Sauerwein, Fynn S. and Weßling, Patrik
                      and Duckworth, Tamara M. and Patzschke, Michael and Gericke,
                      Robert and Sittel, Thomas and März, Juliane and Wilden,
                      Andreas and Modolo, Giuseppe and Panak, Petra J. and Roesky,
                      Peter W.},
      title        = {6-(6-{M}ethyl-1,2,4,5-{T}etrazine-3-yl)-2,2′-{B}ipyridine:
                      {A} {N}-{D}onor {L}igand for the {S}eparation of
                      {L}anthanides({III}) and {A}ctinides({III})},
      journal      = {Inorganic chemistry},
      volume       = {63},
      number       = {33},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2024-05168},
      pages        = {15259–15269},
      year         = {2024},
      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.},
      cin          = {IFN-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IFN-2-20101013},
      pnm          = {1412 - Predisposal (POF4-141) / Verbundprojekt f-Char:
                      Spektroskopische Charakterisierung von f-Element-Komplexen
                      mit soft donor-Liganden, Teilprojekt D (02NUK059D) / BMBF
                      02NUK059D - Spektroskopische Charakterisierung von
                      f-Element-Komplexen mit soft donor-Liganden (f-Char)
                      (BMBF-02NUK059D)},
      pid          = {G:(DE-HGF)POF4-1412 / G:(BMBF)02NUK059D /
                      G:(DE-Juel1)BMBF-02NUK059D},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39101694},
      UT           = {WOS:001286247200001},
      doi          = {10.1021/acs.inorgchem.4c01793},
      url          = {https://juser.fz-juelich.de/record/1029558},
}