Xie L.S., Alexandrov E.V., Skorupskii G. et al. · Chemical Science · 2019 · 8558-8565
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.
Evacuation changes conductivity differently for the phases, likely because structural responses to atmospheric conditions affect physical properties.
Caveat: Mechanistic link to breathing behaviour is suggested rather than directly quantified.
8561 · Electrical conductivity · Fig. 6; Fig. S7; Fig. S9 · Linked to 5 structured results
Topological analysis assigns new underlying net types for all PE&M representations and for STR representations of 1 and 2; STR representation of 3 is known tfo.
Caveat: Spreadsheet S1/S2 comparative datasets referenced by the paper were not supplied locally; summary text was available in the SI PDF.
8560-8562 · Topological analysis · Fig. 4 · Linked to 3 structured results
Longer nearest-neighbour S...S contact distances in the 1D TTFTB stacks correlate with lower pressed-pellet conductivity and higher activation energy across compounds 1-3.
Caveat: Pressed-pellet measurements include grain-boundary resistance; single-crystal conductivity was not measured.
8558; 8561 · Abstract; Electrical conductivity · Fig. 5; Fig. 6 · Linked to 9 structured results
Higher H2O:DMF solvent ratios in the solvothermal reaction favour phases with more extensive pi-pi stacking.
Caveat: Temperature also affects crystallographic density and phase isolation; the authors describe the solvent-ratio relationship as a hypothesis consistent with observations.
8560; 8563 · Bulk synthesis and conclusions · Scheme 1 · Linked to 3 structured results
Diffuse-reflectance and EPR data indicate TTFTB radical cation species and support intermolecular charge transfer along 1D ligand stacks as the conduction mechanism.
Caveat: Carrier concentrations and doping levels were not quantified.
8563 · Diffuse reflectance spectroscopy · Fig. 7; Fig. S15 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| La4(HTTFTB)4, compound 1 | La4(HTTFTB)4; activated analytical formula La4(C34H17O8S4)4(DMF)(H2O)8La3+ atoms in one-dimensional La-carboxylate chain inorganic SBUs. · Tetrathiafulvalene tetrabenzoate / singly protonated HTTFTB derived from H4TTFTB. | 3D · PristineRod MOF with 1D La-carboxylate chains, 1D TTF stacks along [100], solvent-filled channels, and staggered TTFTB ligands; PE&M net new 17-nodal 3,4,6,7-c and STR net new 13-nodal 3,4,6,7-c. | 8559-8562 · Crystal structures and Fig. 4 · Fig. 1; Fig. 4 |
| La(HTTFTB), compound 2 | La(HTTFTB); activated analytical formula La(C34H17O8S4)(H2O)1.5La3+ atoms in one-dimensional La-carboxylate chain inorganic SBUs. · Tetrathiafulvalene tetrabenzoate / HTTFTB derived from H4TTFTB. | 3D · PristineRod MOF with diamond-shaped channels and nearly eclipsed TTF dimers; PE&M net new 6-nodal 3,7-c and STR net new 4-nodal 3,5-c. | 8559-8562 · Crystal structures and Fig. 4 · Fig. 1; Fig. 4 |
| La4(TTFTB)3, compound 3 | La4(TTFTB)3; activated analytical formula La4(C34H16O8S4)3(DMF)0.5(EtOH)3(H2O)2.5.(H2O)0.5La3+ atoms in one-dimensional La-carboxylate chain inorganic SBUs. · Fully deprotonated tetrathiafulvalene tetrabenzoate / TTFTB derived from H4TTFTB. | 3D · PristineRod MOF with diamond-shaped channels and slipped-parallel TTFTB trimers separated by larger gaps; PE&M net new 10-nodal 3,4,7-c and STR net known 3,4-c tfo. | 8559-8562 · Crystal structures and Fig. 4 · Fig. 1; Fig. 4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Activated powder of compound 1research_0048__mat__mof_1 | Powder · Target Sample · Pristine Framework | Activated by supercritical CO2 drying before porosity measurements. | S3-S4 · Experimental Methods - synthesis and activation |
| As-synthesised bulk powder of compound 1research_0048__mat__mof_1 | Powder · Target Sample · Pristine Framework | As-synthesised dark red polycrystalline powder; washed after solvothermal reaction. | S3 · Experimental Methods - synthesis |
| Pressed pellet device of compound 1research_0048__mat__mof_1 | Pellet · Target Sample · Pristine Framework | Powder pressed between stainless-steel rods at approximately 200 MPa for ambient measurements; screw-cell pellets pressed at approximately 50 MPa for variable-temperature measurements.measured after each conductivity measurement using a micrometer; individual values not reported | S5 · Room temperature and variable temperature conductivity measurements · Fig. S12; Fig. S14 |
| Solvated single crystal of compound 1research_0048__mat__mof_1 | Single Crystal · Target Sample · Pristine Framework | Solvated diffraction-quality single crystal mounted for low-temperature SCXRD.Kapton loop with Paratone oil | S4 · Single crystal X-ray diffraction · Tables S1-S3 |
| Activated powder of compound 2research_0048__mat__mof_2 | Powder · Target Sample · Pristine Framework | Activated by 220 deg C dynamic vacuum for 24 h before porosity measurements. | S3-S4 · Experimental Methods - synthesis and activation |
| As-synthesised bulk powder of compound 2research_0048__mat__mof_2 | Powder · Target Sample · Pristine Framework | As-synthesised dark red polycrystalline powder; washed after solvothermal reaction. | S3 · Experimental Methods - synthesis |
| Pressed pellet device of compound 2research_0048__mat__mof_2 | Pellet · Target Sample · Pristine Framework | Powder pressed between stainless-steel rods at approximately 200 MPa for ambient measurements; screw-cell pellets pressed at approximately 50 MPa for variable-temperature measurements.measured after each conductivity measurement using a micrometer; individual values not reported | S5 · Room temperature and variable temperature conductivity measurements · Fig. S12; Fig. S14 |
| Solvated single crystal of compound 2research_0048__mat__mof_2 | Single Crystal · Target Sample · Pristine Framework | Solvated diffraction-quality single crystal mounted for low-temperature SCXRD.Kapton loop with Paratone oil | S4 · Single crystal X-ray diffraction · Tables S1-S3 |
| Activated powder of compound 3research_0048__mat__mof_3 | Powder · Target Sample · Pristine Framework | Activated by supercritical CO2 drying before porosity measurements. | S3-S4 · Experimental Methods - synthesis and activation |
| As-synthesised bulk powder of compound 3research_0048__mat__mof_3 | Powder · Target Sample · Pristine Framework | As-synthesised red polycrystalline powder; washed after solvothermal reaction. | S3 · Experimental Methods - synthesis |
| Pressed pellet device of compound 3research_0048__mat__mof_3 | Pellet · Target Sample · Pristine Framework | Powder pressed between stainless-steel rods at approximately 200 MPa for ambient measurements; screw-cell pellets pressed at approximately 50 MPa for variable-temperature measurements.measured after each conductivity measurement using a micrometer; individual values not reported | S5 · Room temperature and variable temperature conductivity measurements · Fig. S12; Fig. S14 |
| Solvated single crystal of compound 3research_0048__mat__mof_3 | Single Crystal · Target Sample · Pristine Framework | Solvated diffraction-quality single crystal mounted for low-temperature SCXRD.Kapton loop with Paratone oil | S4 · Single crystal X-ray diffraction · Tables S1-S3 |