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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 (English)In: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 297, article id 118277Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
Elsevier, 2026. Vol. 297, article id 118277
Keywords [en]
Azole, Crystal structure, Hydrolysis, Oxocluster, Thorium
National Category
Inorganic Chemistry
Identifiers
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
Funder
Novo Nordisk Foundation, NNF24OC0085032Available from: 2026-07-17 Created: 2026-07-17 Last updated: 2026-07-17Bibliographically approved

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Mudring, Anja-Verena

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