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oai:figshare.com:article/33901345 2026-09-17T16:23:21Z portal_1197 item_type_3 month_year_09_2026

Data for Solvent Induced Structural Transformation of a Cerium (III) 2,5-Furandicarboxylate Metal-Organic Framework Richard I. Walton (1328463) Migrated from ePrints The synthesis and structural characterisation of a cerium (III) MOF, UOW-11, is reported. The material is constructed using the sustainably sourced 2,5-furandicarboxylate (FDC) linker under solvothermal conditions in N,N-dimethylformamide (DMF) solvent and scalable to gram-scale production. Single-crystal analysis using 3D electron diffraction reveals a unique framework architecture, P21/n. space group, with composition [Ce4(FDC)7(DMF)2.36](DMA)2 that has a structure containing four cerium(III) sites that are connected via bridging FDC ligands to give a 3D extended anionic framework counterbalanced by occluded dimethylammonium (DMA) cations, formed via partial decomposition of DMF. Upon exposure to water, UOW-11 undergoes a structural transformation, forming a second, structurally distinct Ce(III) MOF, [Ce2(FDC)2(H2O)10]FDC·6H2O, UOW-2(Ce), which crystallises in the triclinic space group P1 ̅. The asymmetric unit comprises two Ce³⁺ ions, coordinated by two FDC²⁻ ligands, ten water molecules, with one additional uncoordinated FDC²⁻ ligand, and six occluded water molecules. The transformation leads to significant changes in coordination geometry and composition, including the loss of DMA and a different Ce:FDC ratio, consistent with a dissolution–recrystallisation mechanism. Monitoring the conversion using in situ infra-red spectroscopy shows the transformation is complete after ~3 hours at room temperature.<br><br>Experimental data for manuscript "Solvent Induced Structural Transformation of a Cerium (III) 2,5-Furandicarboxylate Metal-Organic Framework" Data are in ascii format labelled according to the experimental technique: UOW-11 PXRD.txt: Powder XRD data from material UOW-11 UOW-11 TGA.txt: TGA data from material UOW-11 UOW-2 (CE) TGA.txt: TGA data from material UOW-2(Ce) Ce(III) XPS.txt: Ce 3d XPS spectrum of material UOW-11 IR spectra.csv: IR spectra during transformation of UOW-11 to UOW-2(Ce) 2026-09-17T16:23:21Z Dataset Dataset 10.82444/warw.33901345.v1 https://figshare.com/articles/dataset/Data_for_Solvent_Induced_Structural_Transformation_of_a_Cerium_III_2_5-Furandicarboxylate_Metal-Organic_Framework/33901345 CC BY 4.0