Ohkubo E., Suzuki M., Aizawa N. et al. · Journal of the American Chemical Society · 2025 · 31940-31951
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.
DBA-based Ni3(HI12)2 and Ni3(HI18)2 films show much larger negative ethanol-vapour conductance responses than Ni3(HITP)2.
Caveat: Preliminary sensing comparison; authors note sensitivity to deposition method and unresolved mechanism.
31949 · Electrical Conductivity/sensing · Figure 7e · Linked to 3 structured results
Ni3(HI18)2 reaches a BET surface area of 1520 m2 g-1, among the highest reported for 2D conductive MOFs, and allows uptake of larger vitamin B12 guests.
Caveat: Vitamin B12 uptake was much stronger for Ni3(HI18)2 than smaller-pore analogues, but the kinetic model remains approximate.
31949 · Conclusions · Linked to 4 structured results
XPS supports Ni2+ as the single framework metal species in Ni3(HI12)2 and Ni3(HI18)2, with no Cl or Na impurities observed except oxygen likely from water.
Caveat: Oxygen remains present and is attributed to water; elemental analyses include tentative acetate/water.
S19 · S2-7 · Figures S8-S10 · Linked to 2 structured results
The [12]DBA ligand in Ni3(HI12)2 gives lower optical band gap and ionisation energy than Ni3(HITP)2 and Ni3(HI18)2, attributed to the antiaromatic 12 pi core.
Caveat: Optical gaps and computed metallic band structures differ; authors attribute discrepancy partly to structural disorder/defects in experiments.
31949 · Conclusions · Linked to 6 structured results
Core expansion from Ni3(HITP)2 to Ni3(HI12)2/Ni3(HI18)2 increases pore size and surface area while maintaining comparable film and pellet conductivities.
Caveat: Pellet conductivities are contact- and morphology-sensitive; authors caution differences from literature Ni3(HITP)2 values likely reflect sample preparation.
31949 · Conclusions · Linked to 9 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Ni3(HI12)2 slipped-AA model | Ni3(HI12)2Ni in DFT+U model · HI12 ligand | 2D · Model SystemLowest-energy slipped-AA model with 0.175 nm interlayer shift used for band calculations. | S5 · S1-2 Computation |
| Ni3(HI18)2 slipped-AA model | Ni3(HI18)2Ni in DFT+U model · HI18 ligand | 2D · Model SystemLowest-energy slipped-AA model with 0.175 nm interlayer shift used for band calculations. | S5 · S1-2 Computation |
| Ni3(HITP)2 slipped-AA modelBrowse family: Ni₃(HITP)₂ / Ni–HITP | Ni3(HITP)2Ni in DFT+U model · HITP ligand | 2D · Model SystemLowest-energy slipped-AA model with 0.175 nm interlayer shift used for band calculations. | S5 · S1-2 Computation |
| Ni3(HI12)2 | Ni3(HI12)2Ni2+ nodes · hexaiminodehydrobenzo[12]annulene-derived HI12 ligand from HA12 | 2D · PristineCore-expanded DBA 2D conductive MOF; AA/slipped-AA stacked hexagonal framework with ca. 2.0 nm pores. | 31942 · Preparation and Structure of MOFs · Scheme 1b |
| Ni3(HI18)2 | Ni3(HI18)2Ni2+ nodes · hexaiminodehydrobenzo[18]annulene-derived HI18 ligand from HA18 | 2D · PristineCore-expanded DBA 2D conductive MOF; AA/slipped-AA stacked hexagonal framework with ca. 2.7 nm pores. | 31942 · Preparation and Structure of MOFs · Scheme 1b |
| Ni3(HITP)2Browse family: Ni₃(HITP)₂ / Ni–HITP | Ni3(HITP)2Ni2+ coordinated by o-phenylenediamine/hexaiminotriphenylene nodes · HATP/HITP ligand | 2D · PristineTriphenylene-based 2D conductive MOF; eclipsed/slipped-AA stacked hexagonal framework, P6/mmm AA refinement. | 31942 · Preparation and Structure of MOFs · Scheme 1b |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Ni3(HI12)2 slipped-AA computational cellresearch_0699__mat__model_ni3_hi12_2_slipped | Model · Model System · Model | DFT+U band calculation model | S5 · S1-2 Computation |
| Ni3(HI18)2 slipped-AA computational cellresearch_0699__mat__model_ni3_hi18_2_slipped | Model · Model System · Model | DFT+U band calculation model | S5 · S1-2 Computation |
| Ni3(HITP)2 slipped-AA computational cellresearch_0699__mat__model_ni3_hitp2_slipped | Model · Model System · Model | DFT+U band calculation model | S5 · S1-2 Computation |
| Ni3(HI12)2 film on fused silicaresearch_0699__mat__ni3_hi12_2 | Thin Film · Target Sample · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedfused-silica substrate | S4 · S1-1 General information |
| Ni3(HI12)2 film on interdigitated Au electrodesresearch_0699__mat__ni3_hi12_2 | Thin Film · Target Sample · Pristine Framework | film grown by vertically immersing interdigitated gold electrode substrate in reaction mixture; washed and vacuum-driedinterdigitated gold electrode substrate | S4 · S1-1 General information |
| Ni3(HI12)2 film on ITO/glassresearch_0699__mat__ni3_hi12_2 | Thin Film · Target Sample · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedITO/glass substrate | S4 · S1-1 General information |
| Ni3(HI12)2 pressed pelletresearch_0699__mat__ni3_hi12_2 | Pellet · Target Sample · Pristine Framework | powder pressed into 7 mm diameter disc pellet under 30 MPa | S4 · S1-1 General information |
| Ni3(HI12)2 activated powderresearch_0699__mat__ni3_hi12_2 | Powder · Target Sample · Pristine Framework | black fine powder; activated under vacuum or N2 depending on measurement | S11 · S1-3 Synthesis |
| Ni3(HI18)2 film on fused silicaresearch_0699__mat__ni3_hi18_2 | Thin Film · Target Sample · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedfused-silica substrate | S4 · S1-1 General information |
| Ni3(HI18)2 film on interdigitated Au electrodesresearch_0699__mat__ni3_hi18_2 | Thin Film · Target Sample · Pristine Framework | film grown by vertically immersing interdigitated gold electrode substrate in reaction mixture; washed and vacuum-driedinterdigitated gold electrode substrate | S4 · S1-1 General information |
| Ni3(HI18)2 film on ITO/glassresearch_0699__mat__ni3_hi18_2 | Thin Film · Target Sample · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedITO/glass substrate | S4 · S1-1 General information |
| Ni3(HI18)2 pressed pelletresearch_0699__mat__ni3_hi18_2 | Pellet · Target Sample · Pristine Framework | powder pressed into 7 mm diameter disc pellet under 30 MPa | S4 · S1-1 General information |
| Ni3(HI18)2 activated powderresearch_0699__mat__ni3_hi18_2 | Powder · Target Sample · Pristine Framework | black fine powder; activated under vacuum or N2 depending on measurement | S12 · S1-3 Synthesis |
| Ni3(HITP)2 film on fused silicaresearch_0699__mat__ni3_hitp2 | Thin Film · Pristine Control · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedfused-silica substrate | S4 · S1-1 General information |
| Ni3(HITP)2 film on interdigitated Au electrodesresearch_0699__mat__ni3_hitp2 | Thin Film · Pristine Control · Pristine Framework | film grown by vertically immersing interdigitated gold electrode substrate in reaction mixture; washed and vacuum-driedinterdigitated gold electrode substrate | S4 · S1-1 General information |
| Ni3(HITP)2 film on ITO/glassresearch_0699__mat__ni3_hitp2 | Thin Film · Pristine Control · Pristine Framework | substrate horizontally immersed in reaction solution, bottom-side film washed with water/MeOH and vacuum-driedITO/glass substrate | S4 · S1-1 General information |
| Ni3(HITP)2 pressed pelletresearch_0699__mat__ni3_hitp2 | Pellet · Pristine Control · Pristine Framework | powder pressed into 7 mm diameter disc pellet under 30 MPa | S4 · S1-1 General information |
| Ni3(HITP)2 activated powderresearch_0699__mat__ni3_hitp2 | Powder · Pristine Control · Pristine Framework | black fine powder; activated under vacuum or N2 depending on measurement | S11 · S1-3 Synthesis |