001033626 001__ 1033626 001033626 005__ 20250610131451.0 001033626 0247_ $$2doi$$a10.1002/open.202400306 001033626 0247_ $$2ISSN$$a2191-1355 001033626 0247_ $$2ISSN$$a2191-1363 001033626 0247_ $$2datacite_doi$$a10.34734/FZJ-2024-06499 001033626 0247_ $$2pmid$$a39600042 001033626 0247_ $$2WOS$$aWOS:001363320600001 001033626 037__ $$aFZJ-2024-06499 001033626 041__ $$aEnglish 001033626 082__ $$a540 001033626 1001_ $$0P:(DE-HGF)0$$aZaytsev, Andrey V.$$b0 001033626 245__ $$aEvaluation of Multidentate Ligands Derived from Ethyl 1,2,4‐triazine‐3‐carboxylate Building Blocks as Potential An(III)‐Selective Extractants for Nuclear Reprocessing 001033626 260__ $$aWeinheim$$bWiley-VCH-Verl.$$c2025 001033626 3367_ $$2DRIVER$$aarticle 001033626 3367_ $$2DataCite$$aOutput Types/Journal article 001033626 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1749207591_30448 001033626 3367_ $$2BibTeX$$aARTICLE 001033626 3367_ $$2ORCID$$aJOURNAL_ARTICLE 001033626 3367_ $$00$$2EndNote$$aJournal Article 001033626 520__ $$aAbstract 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. 001033626 536__ $$0G:(DE-HGF)POF4-1412$$a1412 - Predisposal (POF4-141)$$cPOF4-141$$fPOF IV$$x0 001033626 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de 001033626 7001_ $$00000-0001-6795-2135$$aDistler, Petr$$b1 001033626 7001_ $$00000-0002-5617-9017$$aJohn, Jan$$b2 001033626 7001_ $$0P:(DE-Juel1)130438$$aWilden, Andreas$$b3 001033626 7001_ $$0P:(DE-Juel1)130383$$aModolo, Giuseppe$$b4 001033626 7001_ $$00000-0001-9438-5527$$aSims, Mark$$b5 001033626 7001_ $$00000-0003-3176-8162$$aLewis, Frank W.$$b6$$eCorresponding author 001033626 773__ $$0PERI:(DE-600)2655605-4$$a10.1002/open.202400306$$gp. e202400306$$n6$$pe202400306$$tChemistryOpen$$v14$$x2191-1355$$y2025 001033626 8564_ $$uhttps://juser.fz-juelich.de/record/1033626/files/ChemistryOpen%20-%202024%20-%20Zaytsev%20-%20Evaluation%20of%20Multidentate%20Ligands%20Derived%20from%20Ethyl%201%202%204%E2%80%90triazine%E2%80%903%E2%80%90carboxylate.pdf$$yOpenAccess 001033626 8564_ $$uhttps://juser.fz-juelich.de/record/1033626/files/Supporting%20Information.pdf$$yRestricted 001033626 909CO $$ooai:juser.fz-juelich.de:1033626$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire 001033626 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130438$$aForschungszentrum Jülich$$b3$$kFZJ 001033626 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130383$$aForschungszentrum Jülich$$b4$$kFZJ 001033626 9131_ $$0G:(DE-HGF)POF4-141$$1G:(DE-HGF)POF4-140$$2G:(DE-HGF)POF4-100$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-1412$$aDE-HGF$$bForschungsbereich Energie$$lNukleare Entsorgung, Sicherheit und Strahlenforschung (NUSAFE II)$$vNukleare Entsorgung$$x0 001033626 9141_ $$y2025 001033626 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2023-08-23 001033626 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0 001033626 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bCHEMISTRYOPEN : 2022$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0501$$2StatID$$aDBCoverage$$bDOAJ Seal$$d2021-04-16T15:13:14Z 001033626 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ$$d2021-04-16T15:13:14Z 001033626 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0700$$2StatID$$aFees$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 001033626 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0561$$2StatID$$aArticle Processing Charges$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central$$d2023-08-23 001033626 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2023-08-23 001033626 920__ $$lyes 001033626 9201_ $$0I:(DE-Juel1)IFN-2-20101013$$kIFN-2$$lNukleare Entsorgung$$x0 001033626 980__ $$ajournal 001033626 980__ $$aVDB 001033626 980__ $$aUNRESTRICTED 001033626 980__ $$aI:(DE-Juel1)IFN-2-20101013 001033626 9801_ $$aFullTexts