Mähringer et al. · Angewandte Chemie International Edition · 2021 · 18065-18072
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.
Fe-HHTP-MOF is a pitch-black broad-band absorber with a narrow direct optical gap and very low reflectance.
Caveat: Reflectance differs between mechanically pressed and manually prepared surfaces.
18069 · Photophysical Properties · Figure 4 · Linked to 4 structured results
The framework is assigned as a cubic diamond-like supertetrahedral iron-catecholate structure, but the supplied texts report both F23 and F 32 for the final model.
Caveat: Main-text final model says F23; SI DFT/Rietveld final refinement table says F 32 (196).
SI p.16-17 · Structure solution · Table S6 · Linked to 5 structured results
Mossbauer, XPS, EPR, and SQUID data support a high-spin ferric FeIII framework without substantial residual FeII precursor.
Caveat: XPS includes a low-intensity pre-peak attributed to surface defects or secondary-electron reduction, not stoichiometric FeII.
18071 · Conclusion · Figure 5 · Linked to 4 structured results
Fe-HHTP-MOF is a pristine, highly porous 3D conductive MOF combining BET surface area above 1400 m2/g with pellet conductivity on the order of 10^-3 S/cm.
Caveat: Conductivity was measured on pressed pellets and may be limited by grain-to-grain resistance.
18071 · Conclusion · Linked to 3 structured results
Computations suggest Fe-HHTP-MOF is an efficient electron conductor with continuous framework-bound electron paths but lacks continuous hole-transport paths.
Caveat: Authors state imaginary-time propagation cannot yield quantitative mobilities.
18070 · Charge-Carrier Pathway Simulations · Figure 7 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Fe-HHTP-MOFBrowse family: Fe–HHTP family | Refined composition C63.2O31.4Fe5.3 / C576O286H384Fe48; EDX average C63.1O29.0Fe7.9 without SiFeIII trinuclear iron-oxo clusters / iron bis-catecholate oxo trimers · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) | 3D · PristineCubic ferric catecholate framework; main text reports final structure model with F23, while SI final refinement table reports F 32 (196); diamond-like dia topology of supertetrahedra. | 18066-18067 · Results and Discussion · Figure 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Water-filled periodic Fe-HHTP-MOF computational modelresearch_0901__mat__mat_fe_hhtp_mof | Model · Model System · Model | DFT/PM6-optimised periodic structure, transformed to a cubic cell and flooded with water for charge-path simulations. | SI p.17 · Charge-carrier pathway simulations · Figure S18 |
| Pressed Fe-HHTP-MOF pelletresearch_0901__mat__mat_fe_hhtp_mof | Pellet · Target Sample · Pristine Framework | 100 mg evacuated Fe-HHTP-MOF pressed with a Paul-Weber KBr press at 45 kg cm^-2.Main text: 500 um; SI conductivity protocol: about 100 um; pellet diameter 1 cm in SI preparation. | SI p.4 · Preparation of pellets |
| Fe-HHTP-MOF black microcrystalline powderresearch_0901__mat__mat_fe_hhtp_mof | Powder · Target Sample · Pristine Framework | Solvothermally synthesised, washed, and activated under dynamic vacuum. | 18067 · Synthesis Procedure |