Scheurle P.I., Biewald A., Mahringer A. et al. · Small Structures · 2022 · 2100195
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.
Sorption-derived pore sizes are much smaller than the approximately 4 nm model pores, likely because residual coordinating DMF and water partially block the pores.
Caveat: Residual solvent attribution is supported by elemental analysis, IR and TGA but not directly quantified by pore occupancy.
4 · Results and Discussion · Figure S17-S18 · Linked to 3 structured results
The PDI-based linker strongly enhances conductivity in MOF-74 structures relative to prototype MOF-74 materials.
Caveat: Two-point pellet measurements may be limited by grain-to-grain resistance and were conducted without applied pressure.
4 · Results and Discussion · Figure 4 · Linked to 3 structured results
Absorbing and emitting electronic states of the MOFs are mainly located on the PDI unit.
Caveat: Based on similarity between MOF and linker emission bands.
5 · Results and Discussion · Figure 5 · Linked to 3 structured results
The first and second reduction peaks are assigned to the PDI radical anion and dianion states of the integrated PDI-based ligands.
Caveat: Electrode preparation differs slightly between main text and SI descriptions.
6 · Results and Discussion · Figure 6 · Linked to 6 structured results
Conductivity enhancement is attributed to short adjacent PDI-core distances enabling through-space pi-pi charge transfer, in addition to through-bond hopping through the metal-oxo backbone.
Caveat: Mechanistic interpretation is inferred by the authors rather than directly proven by transport anisotropy or carrier measurements.
4 · Results and Discussion · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| PDI-based organic linker | C38H18N2O10 (elemental-analysis calculation)none · 5,5'-(1,3,8,10-tetraoxo-1,3,8,10-tetrahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bi(2-hydroxybenzoic acid) | 0D · PristineMolecular PDI-based linker precursor with terminal phenyl groups bearing hydroxy and carboxylic acid binding groups. | 7 · Synthetic procedures · Scheme 1 |
| PDI-MOF-74(Mg) | Mg18C342N18H126O99 2 DMF 2 H2O (EA model)Mg2+ helical metal-oxo secondary building units · PDI-based ligand | 3D · PristinePDI-based MOF-74 topology; Pawley-refined triclinic P1 model with 1D hexagonal channels and stacked PDI cores. | 2 · Results and Discussion · Figure 1 |
| PDI-MOF-74(Ni) | Ni18C342N18H126O99 (EA model)Ni2+ helical metal-oxo secondary building units · PDI-based ligand | 3D · PristinePDI-based MOF-74 topology; Pawley-refined triclinic P1 model with a slightly more distorted unit cell than Zn and Mg analogues. | 3 · Results and Discussion · Figure 3 and Figure S14 |
| PDI-MOF-74(Zn) | Zn18C342N18H126O99 2 DMF 2 H2O (EA model)Zn2+ helical metal-oxo secondary building units · PDI-based ligand | 3D · PristinePDI-based MOF-74 topology; Pawley-refined triclinic P1 model with 1D hexagonal channels and stacked PDI cores. | 2 · Results and Discussion · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| PDI-MOF-74(Mg) CV mesh electroderesearch_0147__mat__mat_pdi_mof_74_mg | Electrode · Target Sample · Composite | bulk material pressed into/onto stainless steel mesh for CV; main text also mentions active carbon mixturestainless steel mesh | 4, 33 · Electrochemical measurements · Figure S26 |
| PDI-MOF-74(Mg) pressed pelletresearch_0147__mat__mat_pdi_mof_74_mg | Pellet · Target Sample · Pristine Framework | 80 mg MOF bulk material pressed at 45 kg/cm2 for electrical conductivityabout 500 um; 1 cm pellet diameter | 4, 30 · Preparation of PDI-MOF-74(M) pellets · Table S1 |
| PDI-MOF-74(Mg) powderresearch_0147__mat__mat_pdi_mof_74_mg | Powder · Target Sample · Pristine Framework | dark red crystalline powder; washed, solvent-exchanged and evacuated at 120 C | 8 · PDI-MOF-74(Mg) |
| PDI-MOF-74(Ni) CV mesh electroderesearch_0147__mat__mat_pdi_mof_74_ni | Electrode · Target Sample · Composite | bulk material pressed into/onto stainless steel mesh for CV; main text also mentions active carbon mixturestainless steel mesh | 4, 33 · Electrochemical measurements · Figure S26 |
| PDI-MOF-74(Ni) pressed pelletresearch_0147__mat__mat_pdi_mof_74_ni | Pellet · Target Sample · Pristine Framework | 80 mg MOF bulk material pressed at 45 kg/cm2 for electrical conductivityabout 500 um; 1 cm pellet diameter | 4, 30 · Preparation of PDI-MOF-74(M) pellets · Table S1 |
| PDI-MOF-74(Ni) powderresearch_0147__mat__mat_pdi_mof_74_ni | Powder · Target Sample · Pristine Framework | dark red crystalline powder; washed, solvent-exchanged and evacuated at 120 C | 8-9 · PDI-MOF-74(Ni) · Figure S14 |
| PDI-based linker red powderresearch_0147__mat__mat_pdi_linker | Powder · Paper Level Unspecified · Unknown | purified molecular precursor powder | 7 · Synthetic procedures · Scheme 1 |
| PDI-MOF-74(Zn) CV mesh electroderesearch_0147__mat__mat_pdi_mof_74_zn | Electrode · Target Sample · Composite | bulk material pressed into/onto stainless steel mesh for CV; main text also mentions active carbon mixturestainless steel mesh | 5-6 · Results and Discussion · Figure 6 |
| PDI-MOF-74(Zn) VAC film on glassresearch_0147__mat__mat_pdi_mof_74_zn | Thin Film · Target Sample · Pristine Framework | vapor-assisted conversion film grown from drop-cast precursor solution in DMF vapour at 120 C for 48 hglass substrate · around 17 um | 3 · Results and Discussion · Figure S30 |
| PDI-MOF-74(Zn) pressed pelletresearch_0147__mat__mat_pdi_mof_74_zn | Pellet · Target Sample · Pristine Framework | 80 mg MOF bulk material pressed at 45 kg/cm2 for electrical conductivityabout 500 um; 1 cm pellet diameter | 4, 30 · Preparation of PDI-MOF-74(M) pellets · Table S1 |
| PDI-MOF-74(Zn) powderresearch_0147__mat__mat_pdi_mof_74_zn | Powder · Target Sample · Pristine Framework | dark red crystalline powder; washed, solvent-exchanged and evacuated at 120 C | 8 · PDI-MOF-74(Zn) |