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@ARTICLE{Zaytsev:1033626,
      author       = {Zaytsev, Andrey V. and Distler, Petr and John, Jan and
                      Wilden, Andreas and Modolo, Giuseppe and Sims, Mark and
                      Lewis, Frank W.},
      title        = {{E}valuation of {M}ultidentate {L}igands {D}erived from
                      {E}thyl 1,2,4‐triazine‐3‐carboxylate {B}uilding
                      {B}locks as {P}otential {A}n({III})‐{S}elective
                      {E}xtractants for {N}uclear {R}eprocessing},
      journal      = {ChemistryOpen},
      volume       = {14},
      number       = {6},
      issn         = {2191-1355},
      address      = {Weinheim},
      publisher    = {Wiley-VCH-Verl.},
      reportid     = {FZJ-2024-06499},
      pages        = {e202400306},
      year         = {2025},
      abstract     = {Abstract Bis-1,2,4-triazine ligands are amongst the most
                      promising soft N-donor ligands for the partitioning of
                      trivalent actinides from trivalent lanthanides; a key
                      separation proposed in the future reprocessing of spent
                      nuclear fuels. In an effort to improve the extraction
                      properties of these benchmark ligands, we propose herein a
                      general ligand design approach that is inspired by the field
                      of drug discovery, and we apply it to a new class of ligands
                      in which the bidentate 3-(2-pyridyl)-1,2,4-triazine unit of
                      the benchmark ligands is replaced by a bidentate
                      1,2,4-triazine-3-carboxamide unit. A series of nine novel
                      ligands were synthesized by reactions of readily available
                      ethyl 1,2,4-triazine-3-carboxylate building blocks with
                      different polyamine cores and evaluated for their ability to
                      extract and separate Am(III) and Cm(III) from Eu(III). One
                      of the reported ligands can co-extract Am(III) and Eu(III)
                      from nitric acid into cyclohexanone, albeit with no
                      selectivity between the metal ions. NMR titration
                      experiments suggested that ligand 23 b formed a chiral
                      1 : 1 complex species with La(III) but not Lu(III) or
                      Y(III), suggesting the coordination cavity of the ligand is
                      sensitive to the size of the metal ion. The structures and
                      thermodynamic parameters for the proposed complexes were
                      further supported by DFT calculations.},
      cin          = {IFN-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IFN-2-20101013},
      pnm          = {1412 - Predisposal (POF4-141)},
      pid          = {G:(DE-HGF)POF4-1412},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39600042},
      UT           = {WOS:001363320600001},
      doi          = {10.1002/open.202400306},
      url          = {https://juser.fz-juelich.de/record/1033626},
}