Gordillo M.A., Benavides P.A., Spalding K. et al. · Frontiers in Chemistry · 2021 · 726544
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.
The framework's modest conductivity is attributed to insufficient pi-pi or S...S interactions between Z-DPTTF ligands and non-conductive Zn2 paddlewheel nodes, leaving less effective hopping transport.
Caveat: Mechanistic assignment is inferential; direct mobility or temperature-dependent transport data were not reported.
5 · Conductivity Measurements of Pristine and I2-Treated sine-MOFs · Linked to 3 structured results
Iodine vapour treatment partially oxidises the framework while retaining structural integrity and crystallinity by PXRD.
Caveat: Supplementary peak table is available in the rendered SI surrogate; raw diffraction data are not supplied.
2 · Results and Discussion · Supplementary Figure S3 · Linked to 4 structured results
The material is a new 3D sine-MOF architecture in which U-shaped Z-DPTTF ligands bridge adjacent Zn2 paddlewheel nodes along the b axis in alternating top/bottom fashion.
Caveat: Raw CIF not supplied locally; claim is supported by main-text SXRD discussion and SI crystal-report/tables.
2 · Results and Discussion · Figure 1 · Linked to 8 structured results
I2-treated sine-MOF has a narrower optical bandgap than pristine sine-MOF, likely due to partial oxidation of Z-DPTTF ligands to radical cations.
Caveat: Optical assignment is based on DRS/Tauc plots and EPR support, not direct electronic band-structure measurements.
3 · Optical and Electrochemical Properties of sine-MOF · Figure 4 · Linked to 4 structured results
The 50-fold conductivity increase after iodine treatment is attributed to partial oxidation of Z-DPTTF ligands to radical cations, increasing charge-carrier concentration.
Caveat: Conductivity remains modest despite higher radical-cation population.
5 · Conductivity Measurements of Pristine and I2-Treated sine-MOFs · Figure 7 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| sine-MOF | [Zn2(DPTTF)TCPB*3DMA]n; activated pristine elemental-analysis formula reported as Zn2C52H37O10.5S4N2; I2-treated empirical formula Zn2C55H50O14S4N2I1.5Zn2(COO)4 paddlewheel nodes · 1,2,4,5-tetrakis-(4-carboxyphenyl)benzene (TCPB) and U-shaped Z-DPTTF (cis-dipyridyl tetrathiafulvalene) | 3D · PristineOrthorhombic Pnma 3D framework in which twisted TCPB forms Zn2(COO)4 paddlewheel nodes and U-shaped Z-DPTTF ligands bridge adjacent nodes in an alternating sine-wave arrangement along the b axis. | 2 · Results and Discussion · Figure 1 |
| Z-DPTTF ligand | not reportedcis-dipyridyl tetrathiafulvalene molecular ligand | 0D · Model SystemMolecular redox-active ligand comparison sample; U-shaped Z isomer with pyridyl coordination sites. | 2 · Experimental Section / Materials |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| I2-treated sine-MOF pressed pelletresearch_0560__mat__mat_sine_mof | Pellet · Target Sample · Doped | 3.0 mg iodine-treated material pressed in 2.7 mm inner-diameter Teflon tube between silver-coated stainless-steel rods under 200 MPa.Ag-coated stainless-steel electrodes · ca. 0.2 mm | 1-2 · MOF Pellets for Electrochemical Impedance and Electrical Conductivity Measurements |
| I2-treated sine-MOF powderresearch_0560__mat__mat_sine_mof | Powder · Target Sample · Doped | Evacuated sine-MOF powder exposed to iodine vapour for 3 days, opened overnight, and washed with hexane until colourless washings. | 2 · Preparation of I2 Doped sine-MOF |
| pristine sine-MOF pressed pelletresearch_0560__mat__mat_sine_mof | Pellet · Pristine Control · Pristine Framework | 3.0 mg pristine material pressed in 2.7 mm inner-diameter Teflon tube between silver-coated stainless-steel rods under 200 MPa.Ag-coated stainless-steel electrodes · ca. 0.2 mm | 1-2 · MOF Pellets for Electrochemical Impedance and Electrical Conductivity Measurements |
| pristine sine-MOF evacuated powderresearch_0560__mat__mat_sine_mof | Powder · Pristine Control · Pristine Framework | Evacuated powder prepared from dark-red crystals and used for electrical and optical measurements. | 2 · Preparation of sine-MOF |
| dark-red sine-MOF single crystalsresearch_0560__mat__mat_sine_mof | Single Crystal · Pristine Control · Pristine Framework | Dark-red crystals from solvothermal synthesis used for SXRD. | 2 · Preparation of sine-MOF |
| Z-DPTTF ligand in DMFresearch_0560__mat__mat_z_dpttf_ligand | Model · Model System · Model | Molecular ligand dissolved in DMF for UV-vis absorption comparison. | 3 · Optical and Electrochemical Properties of sine-MOF · Figure 4A |