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Crystallographic evidence supporting our synthetic efforts in ready routes to thorium(IV) soft donor azolate complexes
Department of Biological and Chemical Engineering and iNANO, Aarhus University, Aarhus C, Denmark.
Department of Chemistry & Biochemistry, The University of Alabama, AL, Tuscaloosa, United States; Department of Chemistry, University of Missouri-Columbia, MO, Columbia, United States.
Department of Chemistry & Biochemistry, The University of Alabama, AL, Tuscaloosa, United States.
Department of Chemistry & Biochemistry, The University of Alabama, AL, Tuscaloosa, United States; Department of Chemistry, University of Wyoming, 1000 E, University Ave, WY, Laramie, United States.
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2026 (engelsk)Inngår i: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 297, artikkel-id 118277Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Research is not always a straight line, and in this contribution, we report and discuss our explorations, which led us on our current path of in-depth study of Th(IV) hydrolysis products facilitated by the organized bridging capacity of 4-amino-1,2,4-triazole (4-NH2–1,2,4-Triaz). The crystal structures of [ThCl2(OH2)7][Cl]2•2H2O (1), [HC1Im]3[Th(NO3)6][NO3] (2) (HC1Im = 1-methylimidazolium), [C2C1Im]2[ThCl6] (3) (C2C1Im = 1-ethyl-3-methylimidazolium), [C2C2Im]2[Th(NO3)5(OAc)] (4) (C2C2Im = 1,3-diethylimidazolium; OAc = acetate), [Tb(NO3)2(OH2)5][Th(NO3)5(OH2)2]⋅H2O (5), [Tb(NO3)2(CH3OH)5][Th(NO3)5(CH3OH)2] (6), Th6(μ3-O)8(NO3)6(μ2–4-NH2–1,2,4-Triaz)12][NO3]2 (7), [Th6(μ3-O)4(μ3-OH)4(NO3)11(μ2–4-NH2–1,2,4-Triaz)9][NO3]•0.65(μ2–4-NH2–1,2,4-Triaz) (8), and [Th6(μ3-O)4(μ3-OH)4(NO3)9(μ2–4-NH2–1,2,4-Triaz)10][NO3]3•2(1,2,3-Triaz)•5H2O (9) are highlighted. These findings provide an insight into the complex processes of actinide speciation, particularly in the presence of N-donors. They highlight how subtle changes in coordination environment, ligand basicity, and solvent conditions can significantly alter the structural and electronic properties of actinide complexes. Such knowledge is essential for predicting actinide behavior in both natural and engineered systems, e.g., the complex mixtures in spent nuclear fuel storage.

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Elsevier, 2026. Vol. 297, artikkel-id 118277
Emneord [en]
Azole, Crystal structure, Hydrolysis, Oxocluster, Thorium
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Identifikatorer
URN: urn:nbn:se:umu:diva-256750DOI: 10.1016/j.poly.2026.118277Scopus ID: 2-s2.0-105043965090OAI: oai:DiVA.org:umu-256750DiVA, id: diva2:2087100
Forskningsfinansiär
Novo Nordisk Foundation, NNF24OC0085032Tilgjengelig fra: 2026-07-17 Laget: 2026-07-17 Sist oppdatert: 2026-07-17bibliografisk kontrollert

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