Ribeiro C., Tan B., Figueira F. et al. · Journal of the American Chemical Society · 2025 · 63-68
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.
TTFTP-La is a proton-electron dual-conductive MOF with both electronic and proton conductivity pathways.
Caveat: The electronic conductivity is measured on pressed pellets; high humidity contributes to total conductivity under ambient conditions.
63 · abstract · Linked to 3 structured results
The framework contains TTF moieties with mixed neutral/radical-cation character, enabling electronic transport.
Caveat: Charge values are estimated from bond-length ratios rather than direct oxidation-state measurement.
64 · main text · Table S2; Figures S16-S17 · Linked to 4 structured results
Activated TTFTP-La is microporous with small pores and selectively adsorbs CO2 over N2.
Caveat: N2 uptake is described qualitatively as minimal, and porosity is limited by small micropores.
65 · main text · Figure S23 · Linked to 3 structured results
Electronic transport occurs through a hopping mechanism between partially oxidised TTF units in short S...S stacked columns.
Caveat: DFT indicates flat bands rather than direct mobility calculation; conductivity measured on pellets.
65-66 · main text/conclusion · Figures 1-3 · Linked to 4 structured results
Proton conduction is attributed to a hydrogen-bonded pathway among noncoordinated -POH groups and is consistent with a Grotthuss mechanism.
Caveat: Mechanism inferred from activation energies and structural/FTIR evidence; no direct proton-motion measurement is reported.
65 · main text · Figure 4 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Et8TTFTP | C46H58O12P4S4Tetrathiafulvalene tetra(diethyl phenylphosphonate) | 0D · UnknownMolecular phosphonate ester precursor. | S5 · Synthesis of H8TTFTP · Scheme S1 |
| H8TTFTP ligand | C30H24O12P4S4Tetrathiafulvalene tetraphenylphosphonic acid | 0D · UnknownMolecular phosphonic acid precursor ligand. | S9 · Synthesis of H8TTFTP · Scheme S2 |
| TTFTP-La MOF | [La4(H8-xTTF)6(H2O)3]·1.7EtOH·13.75H2O (x = 0-3); SI formula C183.4H176.5La4O91.45P24S24Lanthanum phosphonate chains; four La metal centres in the asymmetric unit · Partially deprotonated tetrathiafulvalene tetraphenylphosphonate (TTFTP) linker derived from H8TTFTP | 3D · PristineCentrosymmetric triclinic P-1 framework; dense 3D structure with 1D TTF stacks along the b-axis and microporous cavities. | 64 · main text · Figure 1; Table S1 referenced |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Et8TTFTP red powderresearch_0051__mat__mat_et8ttftp | Powder · Paper Level Unspecified · Unknown | Crystallised from CH2Cl2/hexane after silica-gel chromatography. | S5 · Synthesis of H8TTFTP · Scheme S1 |
| H8TTFTP black solidresearch_0051__mat__mat_h8ttftp | Powder · Paper Level Unspecified · Unknown | Black solid after bromotrimethylsilane cleavage/hydrolysis and water centrifugation wash. | S9 · Synthesis of H8TTFTP · Scheme S2 |
| Activated TTFTP-La MOFresearch_0051__mat__mat_ttftp_la | Powder · Target Sample · Pristine Framework | Heated/degassed at 150 °C under vacuum before gas sorption. | 65 · main text · Figure S23 |
| TTFTP-La MOF bulk dark crystalsresearch_0051__mat__mat_ttftp_la | Powder · Target Sample · Pristine Framework | Filtered under vacuum and washed several times with water and ethanol after solvothermal synthesis. | S12 · Synthesis of TTFTP-La MOF · Scheme S3 |
| Pressed TTFTP-La pellet for electronic conductivityresearch_0051__mat__mat_ttftp_la | Pellet · Target Sample · Pristine Framework | Powder pressed in a 10 mm die at approximately 1 GPa for 1 min; cut into cuboid; copper-wire contacts attached by carbon paste.dry glass slide with thermally conductive/electrically insulating grease for device mounting · measured after pellet pressing; numeric thickness not reported | S3-S4 · General methods and materials · Figure S25 |
| TTFTP-La/Nafion glassy-carbon working electroderesearch_0051__mat__mat_ttftp_la | Electrode · Target Sample · Composite | 2 mg MOF powder dispersed in 2 mL Nafion/ethanol (1:3 v/v); 100 uL deposited and dried.3 mm glassy carbon disc working electrode | S3 · General methods and materials · Figure S24 |
| DFT model of TTFTP-La MOFresearch_0051__mat__mat_ttftp_la | Model · Model System · Model | Periodic unit-cell model with adjusted phosphonic-group protonation for electroneutrality. | S32 · Theoretical calculations · Figure 3 |
| Pressed TTFTP-La pellet for proton conductivityresearch_0051__mat__mat_ttftp_la | Pellet · Target Sample · Pristine Framework | Pelletised sample pressed at 1 GPa and equilibrated for 3 h under controlled RH before impedance analysis. | S4 · General methods and materials · Figures S27-S29 |
| TTFTP-La MOF single crystalresearch_0051__mat__mat_ttftp_la | Single Crystal · Target Sample · Pristine Framework | Manually harvested and mounted in FOMBLIN Y oil for SCXRD. | S13 · Single-Crystal X-Ray Diffraction Studies · Table S1 |