Park J., Hinckley A.C., Huang Z. et al. · Journal of the American Chemical Society · 2018 · 14533-14537
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.
Adding Cu-HHB to the M3(C6X6)2 c-MOF family broadens candidates for electronics, sensing and energy-related applications, but the paper reports fundamental synthesis/transport data rather than first-hand electrocatalytic device performance.
Caveat: No electrochemical application measurements are reported in this paper despite references to c-MOF application areas in the introduction.
p004 · Summary · Linked to 3 structured results
Cu-HHB is reported as the first synthetically realised oxygen analogue of the M3(C6X6)2 (X = NH, S) conductive-MOF family, with Cu3(C6O6)2 composition and 2D honeycomb topology.
Caveat: Charge-balancing/guest species are inferred by elemental analysis and the guest species in cages could not be crystallographically located.
p001-p002 · Abstract and main text · Figure 1; Figure 2 · Linked to 3 structured results
Moderate conductivity of Cu3(C6O6)2 relative to other M3(C6X6)2 MOFs is ascribed to weaker Cu(II)-C6O6 orbital interaction and the lower HOMO of oxygen-containing linkers compared with nitrogen and sulfur analogues.
Caveat: Comparison to other family members is interpretive and partly literature-based rather than a same-paper side-by-side measurement.
p004 · Main text · Figure 4 · Linked to 3 structured results
Ethylenediamine improves Cu-HHB crystallinity by acting as a base and competing Cu(II) coordination reagent that slows nucleation; excess ethylenediamine (>4 equiv.) leads to an unknown phase.
Caveat: Mechanism is rationalised from optimisation PXRD trends rather than directly measured kinetic constants.
S4 · Rationalizations of ethylenediamine effect · Figures S2-S3 · Linked to 1 structured result
THQ serves as an oxidised HHB intermediate and synthetic shortcut to Cu3(C6O6)2, giving Cu-THQ with the same structure as Cu-HHB while using a lower-cost, air-stable starting material.
Caveat: RA and HKH over-oxidised linkers did not produce the same framework under ambient reaction conditions; the shortcut is demonstrated for THQ only.
p003 · Main text · Figure 3 · Linked to 3 structured results
Water post-treatment removes entrapped species from Cu-HHB pores and enables measurable porosity; the 60 C treatment was preferred for most characterisations.
Caveat: Entrapped species are inferred from porosity and FT-IR/TGA trends; not directly identified crystallographically.
S7-S8 · Post-treatment of Cu-HHB · Figures S6-S9 · Linked to 2 structured results
Cu-HHB exhibits semiconducting, thermally activated bulk transport with Arrhenius-type temperature dependence; the large activation energy is attributed mainly to charge hopping between domain boundaries.
Caveat: Transport measured on a pressed polycrystalline pellet containing 5 wt.% PTFE binder, not on a single crystal or binder-free film.
p004 · Main text · Figure 4b · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu-HHB / Cu-THQ, Cu3(C6O6)2 2D conductive MOFBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu3(C6O6)2 framework; EA-derived samples include ethylenediammonium charge-balancing species, e.g. Cu3(C6O6)2(NH3CH2CH2NH3)1.36 for Cu-HHB and Cu3(C6O6)2(NH3CH2CH2NH3)1.46 for Cu-THQCu(II) square-planar CuO4 nodes; trace Cu(I) observed by XPS · Hexahydroxybenzene-derived C6O6 linker; prepared from hexahydroxybenzene (HHB) or tetrahydroxy-1,4-benzoquinone hydrate (THQ) | 2D · Pristine(2,3)-connected honeycomb conductive MOF in the M3(C6X6)2 family; AB slipped-parallel/partially eclipsed packing; C-centred orthorhombic Cmcm model. | p002 · Main text · Figure 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu3(C6O6)2 DFT structural modelsresearch_0792__mat__cu_c6o6_2d_mof | Model · Model System · Model | AA eclipsed and AB slipped-parallel Cu3(C6O6)2 packing models geometry optimised/calculated for PXRD comparison. | S2 · Materials and instrumentation · Figure 2c; Figure S5 |
| Cu-HHB as-synthesised powderresearch_0792__mat__cu_c6o6_2d_mof | Powder · Target Sample · Guest Loaded | Dark navy precipitate obtained from HHB/Cu(NO3)2/ethylenediamine reaction and dried at 80 C; before water post-treatment. | S3-S4 · Section 2 · Figures S2-S3 |
| Cu-HHB H2O 100 C post-treated powderresearch_0792__mat__cu_c6o6_2d_mof | Powder · Pristine Control · Pristine Framework | As-synthesised Cu-HHB stirred in DI water at 100 C for 12 h, filtered, washed and dried at 80 C. | S7-S8 · Post-treatment of Cu-HHB · Figures S6-S7 |
| Cu-HHB H2O 60 C post-treated powderresearch_0792__mat__cu_c6o6_2d_mof | Powder · Target Sample · Pristine Framework | As-synthesised Cu-HHB stirred in DI water at 60 C for 12 h, filtered, washed with DI water and acetone, and dried at 80 C; used for most characterisations. | S7-S8 · Post-treatment of Cu-HHB · Figures S6-S9 |
| Cu-HHB pressed pellet conductivity sampleresearch_0792__mat__cu_c6o6_2d_mof | Pellet · Target Sample · Composite | 10 mg Cu-HHB powder mixed with 5 wt.% PTFE binder, dried, cold-pressed at 1 MPa in a 3.175 mm die; mounted for van der Pauw measurement.Silicon wafer with double-sided polyimide tape; four gold nanowire/carbon paste contacts · Measured with a micrometer; numeric thickness not reported | S15 · Section 5. Conductivity measurement · Figure S19 |
| Cu-THQ powderresearch_0792__mat__cu_c6o6_2d_mof | Powder · Target Sample · Guest Loaded | Dark navy precipitate from THQ/Cu(NO3)2/ethylenediamine reaction under N2, washed and dried at 80 C. | S10 · Section 4. Synthesis and characterization of Cu-THQ · Figures S11-S12 |
| Cu-THQ H2O 60 C post-treated powderresearch_0792__mat__cu_c6o6_2d_mof | Powder · Target Sample · Pristine Framework | Cu-THQ powder after water post-treatment at 60 C, used for porosity and spectroscopy comparisons. | S12-S13 · Section 4 · Figures S15-S17 |
| Cu-THQ pressed pellet conductivity sampleresearch_0792__mat__cu_c6o6_2d_mof | Pellet · Target Sample · Composite | Prepared by the same van der Pauw pellet protocol as Cu-HHB: powder plus 5 wt.% PTFE binder, cold pressed at 1 MPa and contacted in glovebox.Silicon wafer with double-sided polyimide tape; four gold nanowire/carbon paste contacts · Measured with a micrometer; numeric thickness not reported | S15-S16 · Section 5. Conductivity measurement · Figure S20 |