Pham H.T.B., Choi J.Y., Huang S. et al. · Journal of the American Chemical Society · 2022 · 10615-10621
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.
Cu-HHTC is assigned to a hexagonal P6/mmm slipped AA packing model rather than AB staggered or AA eclipsed alternatives.
Caveat: Assignment is based on PXRD/Pawley refinement and HR-TEM, not single-crystal diffraction.
main p.3, article p.10617 · Structure Characterization · Figure 2b; Figure S11; Table S1 · Linked to 4 structured results
The electron-rich alkyne-based intrinsic pockets of HHTC enable postsynthetic Ni and Co hosting; the HHTP analogue shows negligible inserted ion amounts.
Caveat: Host-site assignment uses computational models and indirect spectroscopy/microscopy; no direct crystallographic localisation of inserted ions.
main p.5, article p.10619 · Postsynthetic Metalation · Tables S4-S9 · Linked to 6 structured results
The macrocyclic HHTC linker enables a conductive Cu-based 2D MOF with unusually high surface area for Cu EC-MOFs.
Caveat: Surface area depends on particle-size/synthesis condition; reported values include 1133 and 1196 m2/g.
main p.1, article p.10615 · Abstract · Linked to 4 structured results
Increasing Cu-HHTC particle size correlates with higher pellet conductivity, attributed to larger crystal domains and fewer grain boundaries.
Caveat: Correlation is measured for bulk pressed pellets and may include pellet packing/contact effects.
main p.4, article p.10618 · Particle Size Tunability · Figure 4 · Linked to 4 structured results
Smaller Cu-HHTC particles show higher BET surface area than larger particles in the temperature-tuned series.
Caveat: Intermediate surface-area values are graphical and not all exact values are provided in text.
main p.4, article p.10618 · Particle Size Tunability · Figure 4d; Figure S22 · Linked to 2 structured results
Ni and Co metalation improves Cu-HHTC conductivity, attributed to intervalence charge transfer between inserted metal species and the MOF.
Caveat: Conductivity values show small inconsistencies between main text and Figure S29; mechanism is proposed rather than directly quantified.
main p.5, article p.10619 · Postsynthetic Metalation · Figure S29 · Linked to 4 structured results
Cu-HHTC shows semiconducting behaviour supported by a small optical bandgap and Arrhenius activation energy.
Caveat: Transport is measured on pressed polycrystalline pellets; intrinsic single-crystal transport is not measured.
main p.3, article p.10617 · Electronic Structure Characterization · Figure 3 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co-metalated Cu-HHTC | Co-hosted Cu3(HHTC)2Cu-HHTC framework with postsynthetically inserted Co species in intrinsic pockets. · HHTC linker; alkyne pockets interact with inserted Co species. | 2D · PristineMetalated Cu-HHTC retaining framework morphology and crystallinity; modelling places Co between two intrinsic pockets. | main p.5, article p.10619 · Postsynthetic Metalation · Figures 5, S23-S29; Tables S6 and S7 |
| Cu-HHTC | Cu3(HHTC)2Cu(II)-catecholate square-planar nodes; XPS indicates both Cu(I) and Cu(II) centres with Cu(II) dominant. · 2,3,8,9,14,15-hexahydroxyltribenzocyclyne (HHTC), a conjugated macrocyclic catecholate linker with alkyne functionality and intrinsic pockets. | 2D · PristineHexagonal 2D electrically conductive MOF, space group P6/mmm, assigned to slipped AA packing with large hexagonal pores and triangular intrinsic pockets. | main p.2, article p.10616 · Results and Discussion · Figure 2 and Table S1 |
| Cu-HHTPBrowse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu-HHTPCopper catecholate nodes. · 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP). | 2D · PristineStructural analogue control with hexagonal pore but without the HHTC alkyne-based intrinsic pocket. | main p.5, article p.10619 · Postsynthetic Metalation · Figure S30; Tables S8-S9 |
| Ni-metalated Cu-HHTC | Ni-hosted Cu3(HHTC)2Cu-HHTC framework with postsynthetically inserted Ni species in intrinsic pockets. · HHTC linker; alkyne pockets interact with inserted Ni species. | 2D · PristineMetalated Cu-HHTC retaining framework morphology and crystallinity; modelling places Ni in an intrinsic in-plane pocket. | main p.5, article p.10619 · Postsynthetic Metalation · Figures 5, S23-S29; Tables S5 and S7 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co-metalated Cu-HHTCresearch_0025__mat__co_metalated_cu_hhtc | Powder · Target Sample · Mixed Metal | Pristine Cu-HHTC stirred with Co(NO3)2.6H2O in isopropanol under N2, centrifuged, washed with acetone, and vacuum dried. | main p.5, article p.10619 · Postsynthetic Metalation · Figure 5 |
| Co-metalated Cu-HHTP controlresearch_0025__mat__cu_hhtp_control | Powder · Pristine Control · Mixed Metal | Cu-HHTP subjected to the postsynthetic metalation protocol; PXRD retained crystallinity but EDS detected negligible Co. | SI p.S28 · Characterization of metalated Cu-HHTP · Table S9 |
| Cu-HHTC synthesised at 30 Cresearch_0025__mat__cu_hhtc | Powder · Target Sample · Pristine Framework | Particle-size-tuned powder synthesised by the Cu-HHTC protocol at 30 C. | main p.4, article p.10618 · Particle Size Tunability · Figure 4 |
| Cu-HHTC synthesised at 40 Cresearch_0025__mat__cu_hhtc | Powder · Target Sample · Pristine Framework | Particle-size-tuned powder synthesised by the Cu-HHTC protocol at 40 C. | SI p.S17 · Particle Size Controllability of Cu-HHTC · Figures S17-S18 |
| Cu-HHTC synthesised at 50 C in particle-size seriesresearch_0025__mat__cu_hhtc | Powder · Target Sample · Pristine Framework | Particle-size-tuned powder synthesised by the Cu-HHTC protocol at 50 C. | SI p.S18 · Particle width distribution of Cu-HHTC · Figures S19-S20 |
| Cu-HHTC synthesised at 60 Cresearch_0025__mat__cu_hhtc | Powder · Target Sample · Pristine Framework | Particle-size-tuned powder synthesised by the Cu-HHTC protocol at 60 C. | main p.4, article p.10618 · Particle Size Tunability · Figure 4 |
| Pristine Cu-HHTC pressed pelletresearch_0025__mat__cu_hhtc | Pellet · Target Sample · Pristine Framework | Approximately 5 mg powder pressed in a 5 mm die under 1.5 tons without binder or conducting additive.Measured by caliper; exact thickness not reported. | SI p.S26 · Conductivity measurements · Figure S29 |
| Pristine Cu-HHTC synthesised at 50 C for 8 hresearch_0025__mat__cu_hhtc | Powder · Target Sample · Pristine Framework | Black solid isolated by centrifugation, washed with DMF and acetone, dried under vacuum at 70 C; activated under vacuum for porosity measurements or pressed into binder-free pellets for transport. | main p.5, article p.10619 · Experimental Section |
| Pristine Cu-HHTP controlresearch_0025__mat__cu_hhtp_control | Powder · Pristine Control · Pristine Framework | Powder synthesised from HHTP and CuSO4.5H2O in DMF/H2O at 80 C, washed with water, methanol and acetone, then vacuum dried. | SI p.S27 · Characterization of metalated Cu-HHTP · Figure S30 |
| Ni-metalated Cu-HHTCresearch_0025__mat__ni_metalated_cu_hhtc | Powder · Target Sample · Mixed Metal | Pristine Cu-HHTC stirred with Ni(NO3)2.6H2O in isopropanol under N2, centrifuged, washed with acetone, and vacuum dried. | main p.5, article p.10619 · Experimental Section |
| Ni-metalated Cu-HHTP controlresearch_0025__mat__cu_hhtp_control | Powder · Pristine Control · Mixed Metal | Cu-HHTP subjected to the postsynthetic metalation protocol; PXRD retained crystallinity but EDS detected negligible Ni. | main p.5, article p.10619 · Postsynthetic Metalation · Tables S8-S9 |