Zhang S., Panda D.K., Yadav A. et al. · Chemical Science · 2021 · 13379-13391
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 authors caution that pellet conductivities are usually one to two orders of magnitude lower than single-crystal conductivities because of grain-boundary and contact resistance.
Caveat: No single-crystal conductivity was measured in this work.
13388 · Electrical conductivity · Linked to 6 structured results
Aerobically oxidized K-MOF 2-ox has the highest reported average and maximum room-temperature pellet conductivity in the extracted data set for this paper.
Caveat: Na-MOF 1-ox is highest among freshly prepared MOFs; 2-ox is obtained after post-synthetic air oxidation.
13385 · Table 2 · Table 2 · Linked to 4 structured results
Cs-MOF 4 is the poorest conductor because it has the largest p-p distance/near-orthogonal TTF stacking, negligible TTFTC•+ population, weak IVCT, and widest optical/electronic band gaps.
Caveat: Cs-MOF remained phase-stable and air-resistant; low conductivity is not attributed to decomposition.
13385-13388 · Optical properties and electrical conductivity · Linked to 5 structured results
Electrical conductivity is governed by combined TTFTC radical-cation population, TTFTC/TTFTC•+ IVCT interaction, and through-space charge movement through p-stacked TTFTC ligands rather than through metal-ligand bonds.
Caveat: Pellet measurements may underestimate intrinsic single-crystal conductivity; MOFs are not strictly isostructural.
13387-13389 · Electrical conductivity / Conclusions · Linked to 7 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cs-MOF 4 | [Cs4(TTFTC)(H2O)2]; elemental-analysis formula C10H4Cs4O12S4Cs+ carboxylate framework with four distinct Cs+ coordination environments · TTFTC | 3D · PristineOrthorhombic Pna21; boat-shaped TTFTC ligands p-stacked along b-axis; neutral/air-resistant framework | 13383 · Syntheses and crystal structures of MOFs · Fig. 2, Table 1 |
| K-MOF 2 / 2-ox | [K4(TTFTC)(H2O)2]·2H2O; elemental-analysis formula C10H8K4O12S4K+ carboxylate sheets; two hepta-coordinated K+ environments with some K-S coordination · TTFTC | 3D · PristineMonoclinic P21/c; p-stacked TTFTC along c-axis; fresh 2 and aerobically oxidized 2-ox share framework crystallinity | 13382-13383 · Syntheses and crystal structures of MOFs · Fig. 2, Table 1 |
| TTFTC-H4 | TTFTC tetra-acidnone · tetrathiafulvalene tetracarboxylic acid control | 0D · Model Systemmolecular ligand control | S4 · Material Synthesis and Characterization |
| TTFTC-Me4 | C14H12O8S4none · tetramethyl tetrathiafulvalene tetracarboxylate precursor/control | 0D · Model Systemmolecular ligand control | S3-S4 · Material Synthesis and Characterization |
| Na-MOF 1-ox | [Na4(TTFTC)(H2O)2]·0.5H2O; elemental-analysis formula reported as C11H16Na4O15S4Na+ carboxylate sheets/chains; two distinct hexacoordinated Na+ ions · TTFTC (tetrathiafulvalene tetracarboxylate) | 3D · PristineOrthorhombic Ibam; p-stacked TTFTC along c-axis; optimally oxidized mixed-valent TTFTC0/•+ framework | 13381 · Syntheses and crystal structures of MOFs · Fig. 2, Table 1 |
| Rb-MOF 3 / 3-ox | [Rb4(TTFTC)(H2O)3]·H2O; crystallographic Table S2 formula C5H4Rb2O6S2; elemental-analysis formula C10H8Rb4O12S4Rb+ carboxylate sheets with two octa-coordinated and one hepta-coordinated Rb+ environments; all four S atoms coordinated to Rb+ · TTFTC | 3D · PristineOrthorhombic Pbcn; p-stacked TTFTC along c-axis; fresh 3 and aerobically oxidized 3-ox share framework crystallinity | 13383 · Syntheses and crystal structures of MOFs · Fig. 2, Table 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cs-MOF 4research_0525__mat__m_cs | Powder · Target Sample · Pristine Framework | orange crystalline bulk material; air-stable/resistant to aerobic oxidation | S4 · Material Synthesis and Characterization |
| K-MOF 2research_0525__mat__m_k | Powder · Target Sample · Pristine Framework | freshly prepared reddish-orange crystalline bulk material | S4 · Material Synthesis and Characterization |
| K-MOF 2-oxresearch_0525__mat__m_k | Powder · Target Sample · Pristine Framework | aerobically oxidized dark brown/black powder after air exposure | S4 · Material Synthesis and Characterization |
| TTFTC-H4 ligandresearch_0525__mat__m_lig_h4 | Powder · Model System · Model | free tetra-acid ligand control for CV and I-V | S3-S4 · Material Synthesis and Characterization |
| TTFTC-Me4 ligandresearch_0525__mat__m_lig_me4 | Powder · Model System · Model | free ester ligand control for CV and I-V | S3-S4 · Material Synthesis and Characterization |
| Na-MOF 1-oxresearch_0525__mat__m_na | Powder · Target Sample · Pristine Framework | brown crystalline bulk material; intrinsically aerobically oxidized/mixed-valent from synthesis | S4 · Material Synthesis and Characterization |
| Rb-MOF 3research_0525__mat__m_rb | Powder · Target Sample · Pristine Framework | freshly prepared orange crystalline bulk material | S4 · Material Synthesis and Characterization |
| Rb-MOF 3-oxresearch_0525__mat__m_rb | Powder · Target Sample · Pristine Framework | aerobically oxidized black crystalline powder after air exposure | S4 · Material Synthesis and Characterization |