Zhai F., Li H., Gui D. et al. · Dalton Transactions · 2022
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
SCU-125 forms double defective kgd layers because the four-connected TTFTB geometry leaves vacant uranyl coordination sites that are completed by vertical TTFTB ligands.
16449 · Results · Figure 1 · Linked to 3 structured results
The full formula including DMA, DMF, and water was assigned from SQUEEZE electron counts, charge balance, and agreement between measured and calculated TGA mass loss.
Caveat: The disordered guests/counterions are modelled through electron-density accounting rather than resolved atom positions.
SI p001 · Characterization · Linked to 3 structured results
SCU-125 is a semiconductive uranium-organic framework, supported by an optical energy gap of 1.8 eV and pellet conductivity of 2.2(2) x 10^-7 S cm^-1.
Caveat: Conductivity is measured on pressed pellets, not single crystals or oriented films.
16448 · Abstract · Linked to 2 structured results
The redox-active uranyl centre is proposed to enhance redox hopping and gives SCU-125 a 10- to 100-fold higher conductivity than structurally similar Zr-TTFTB MOFs.
Caveat: The Zr-TTFTB values are literature comparisons, not first-hand measurements in this paper.
16451 · Transport discussion · Linked to 1 structured result
Electron transport in SCU-125 is attributed primarily to redox hopping through TTF cores and a ligand-metal through-bond pathway, while through-space pi-pi transport is reduced by long TTF-core and intersheet S...S distances.
Caveat: Mechanism is inferred from structure and literature redox behaviour; no direct variable-temperature or electrochemical transport mechanism experiment is reported.
16451 · Transport discussion · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| SCU-125 | (UO2)4(C34H16O8S4)3(DMF)8(H2O)6(DMA)4; CIF sum C134 H148 O46 S12 N12 U4Uranyl UO2^2+ nodes coordinated by carboxylate oxygens; topological analysis describes three-connected uranyl nodes. · Tetrathiafulvalene-3,4,5,6-tetrakis(4-benzoate), TTFTB, from H4TTFTB. | 2D · PristineMonoclinic C2/c uranyl-TTFTB framework with double defective kgd layers, a 2D slab structure, and elliptical channels. | SI p009 · Table S1 · Table S1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| SCU-125 bulk powder/ground crystalsresearch_0476__mat__mat_scu125 | Powder · Target Sample · Pristine Framework | As-synthesised SCU-125 used for bulk PXRD, FTIR, UV-vis, TGA, and XPS characterisation; TGA sample dried under ambient conditions for 12 h. | 16449 · Results · Figures 2, 3, S1-S3 |
| SCU-125 dark brown crystalsresearch_0476__mat__mat_scu125 | Single Crystal · Target Sample · Pristine Framework | Dark brown crystals collected, washed with DMF and alcohol three times each, and dried at 60 deg C. | SI p001 · Chemicals and synthesis |
| SCU-125 pressed pelletsresearch_0476__mat__mat_scu125 | Pellet · Target Sample · Pristine Framework | As-synthesised material dried, then pressed into pellets on a hydraulic machine before four-probe measurements.0.048, 0.049, 0.079, and 0.093 cm; pellet diameter 3 mm | 16449 · Results · Table 1 and Figure S4 |