Gordillo M.A., Benavides P.A., Panda D.K. et al. · ACS Applied Materials and Interfaces · 2020 · 12955-12961
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 pristine material is a neutral ExTTFTB-based double-helical Zn MOF with ovoid cavities and adjacent-strand short S...S/pi-pi contacts.
Caveat: SCXRD refinement has a relatively high R1 (0.1046 for observed data), but the formula/cell/space group are available in the CIF and PXRD supports bulk phase purity.
2 · Synthesis and Structural Characterization · Figure 1 · Linked to 9 structured results
Both pristine and iodine-treated dhMOFs have narrower optical gaps than the free ligand, and partial oxidation narrows the gap of 1a by about 0.5 eV relative to 1.
Caveat: Direct and indirect Tauc values were read from rendered Figure 5 labels; text reports DRS-derived optical gaps and approximate narrowing.
4 · Optical Spectra and Band Gaps · Figure 5 · Linked to 6 structured results
Iodine vapour partially oxidises about half of the ExTTFTB ligands in 1a to radical cations, with I- counterions likely located in ovoid cavities.
Caveat: Single-crystal structure of 1a was unsuccessful; iodide location is inferred from size and PXRD/elemental evidence.
4 · Elemental Analysis · Figure 1c · Linked to 5 structured results
Iodine-mediated oxidation increases conductivity from the 10^-8 S/m range for pristine 1 to 10^-6 S/m for washed 1a and 10^-4 S/m for iodine-rich 1b.
Caveat: Pellet conductivities may underestimate intrinsic conductivity because of grain-boundary and contact resistance.
5 · Electrical Conductivity · Table 1 · Linked to 8 structured results
Additional iodine molecules in 1b likely contribute to its higher conductivity by facilitating electron movement across grain boundaries.
Caveat: The role of residual iodine is inferred from TGA and conductivity trends, not directly isolated by a separate grain-boundary measurement.
5 · Electrical Conductivity · Linked to 4 structured results
The authors attribute conductivity enhancement in 1a to through-space ExTTFTB/ExTTFTB radical-cation pi donor/acceptor chains along seams between neighbouring helical strands.
Caveat: The charge-transfer-chain arrangement is proposed from combined evidence rather than directly resolved crystallographically in 1a.
4-5 · Elemental Analysis / Electrical Conductivity · Figure 1c · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| ExTTFTB-based double-helical Zn MOF (dhMOF) | [Zn3(ExTTFTB)2(H2O)4].(CH3CH2OH)6 / C108H94O26S8Zn3 for crystal dataZn2(COO)4 paddlewheel nodes and tetrahedral Zn(II) centres · Butterfly-shaped electron-rich pi-extended tetrathiafulvalene tetrabenzoate ligand (ExTTFTB) | 3D · PristineNeutral double-helical MOF architecture, P-1 space group, ovoid cavities and adjacent-strand pi-pi contacts | 2 · Synthesis and Structural Characterization of ExTTFTB-Based dhMOF · Figure 1 |
| Free ExTTFTB ligand | Not specifiednone · ExTTFTB, a pi-extended tetrathiafulvalene ligand equipped with four benzoic acid units | 0D · Model SystemMolecular model system used for comparison with the MOF-bound ligand | 2 · Introduction / Results and Discussion · Figure 3a; Figure 5a |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 1, activated pristine dhMOFresearch_0553__mat__mat_dhmof_exttftb_zn | Powder · Pristine Control · Pristine Framework | Activated pristine dhMOF, called 1 | 3 · Synthesis and Structural Characterization of ExTTFTB-Based dhMOF · Figure 2 |
| 1 drop-cast thin film on glassy carbonresearch_0553__mat__mat_dhmof_exttftb_zn | Thin Film · Pristine Control · Pristine Framework | Pristine dhMOF thin film drop-cast on glassy carbon for cyclic voltammetryglassy carbon electrode | 3 · Electrochemical Behavior of Pristine and Iodine-Treated dhMOFs · Figure 3b,c |
| 1 pressed MOF pelletresearch_0553__mat__mat_dhmof_exttftb_zn | Pellet · Pristine Control · Pristine Framework | In situ pressed MOF pellet for dc-sweep and EISconductive-C-coated or Ag-coated stainless-steel electrodes | 4-5 · Electrical Conductivity of Pristine and Iodine-Treated dhMOFs · Table 1; Figure 6 |
| 1a, iodine-treated washed evacuated dhMOFresearch_0553__mat__mat_dhmof_exttftb_zn | Powder · Target Sample · Doped | Iodine-treated, subsequently hexane-washed and evacuated partially oxidised dhMOF | 3 · Synthesis and Structural Characterization of ExTTFTB-Based dhMOF · Figure 2 |
| 1a iodine-treated thin film for CVresearch_0553__mat__mat_dhmof_exttftb_zn | Thin Film · Target Sample · Doped | Iodine-treated 1a measured by cyclic voltammetry as a film/electrode sampleglassy carbon electrode | 3 · Electrochemical Behavior of Pristine and Iodine-Treated dhMOFs · Figure 3b,d |
| 1a pressed MOF pelletresearch_0553__mat__mat_dhmof_exttftb_zn | Pellet · Target Sample · Doped | Iodine-treated, washed and evacuated dhMOF pellet for dc-sweep and EISconductive-C-coated or Ag-coated stainless-steel electrodes | 5 · Electrical Conductivity of Pristine and Iodine-Treated dhMOFs · Table 1; Figure 6 |
| 1b, iodine-treated air-exposed unwashed dhMOFresearch_0553__mat__mat_dhmof_exttftb_zn | Powder · Target Sample · Guest Loaded | Iodine-treated, subsequently air-exposed but not washed material | 3 · Synthesis and Structural Characterization of ExTTFTB-Based dhMOF · Figure 2b |
| 1b pressed MOF pelletresearch_0553__mat__mat_dhmof_exttftb_zn | Pellet · Target Sample · Guest Loaded | Iodine-treated air-exposed unwashed dhMOF pellet for dc-sweep and EISconductive-C-coated or Ag-coated stainless-steel electrodes | 5 · Electrical Conductivity of Pristine and Iodine-Treated dhMOFs · Table 1; Figure 6 |
| Free ExTTFTB ligandresearch_0553__mat__mat_exttftb_ligand | Model · Model System · Model | Free ligand measured in solution for CV and UV-vis comparison | 3-4 · Electrochemical Behavior; Optical Spectra · Figures 3a and 5a |