Chen T., Dou J.-H., Yang L. et al. · Journal of the American Chemical Society · 2022 · 5583-5593
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.
Ni-3D-ox is intrinsically ultramicroporous but its measured BET surface area is lower than the theoretical accessible area because water persists in hydrophilic pores.
Caveat: The residual guest assignment is inferred from TGA/ATR-FTIR/residual density rather than direct localisation of every water molecule.
main p.5, article p.5587 · Three-Dimensional, Porous Ni-TIHQ Framework · Figures S24-S27 · Linked to 3 structured results
The bridging O species in Ni-2D is assigned to H2O rather than OH- or O2-, supported by O 1s XPS and H/D isotope ATR-FTIR.
Caveat: cRED locates bridging O atoms but does not by itself resolve chemical identity.
SI p.24 · ATR-FTIR and DRIFTS Related discussion · Figure S10 · Linked to 2 structured results
Compositionally related Ni frameworks with 1D, 2D and 3D connectivities span nearly eight orders of magnitude in electrical conductivity.
Caveat: Ni-3D conductivity is two-probe and oxidation-state dependent; Ni-1D/Ni-2D values are four-probe pressed-pellet measurements.
main p.1, article p.5583 · Abstract · Linked to 4 structured results
Ni-2D spontaneously transforms into Ni-1D under ambient conditions by losing bridging water; lower temperature slows this transformation and heating/vacuum accelerates it.
Caveat: Transformation is tracked by PXRD/ATR-FTIR and conductivity; precise kinetics depend on storage and processing conditions.
main p.4, article p.5586 · Ni-Based Nonporous Frameworks · Figure 4, Figures S15-S16 · Linked to 2 structured results
Higher conductivity in Ni-1D relative to Ni-2D is attributed to interchain donor-acceptor stacking and shorter pi-pi stacking distance after loss of bridging water.
Caveat: Transport is measured on polycrystalline pellets, so grain boundaries and morphology can contribute.
main p.8, article p.5590 · Electrical Conductivity · Figure 8 · Linked to 4 structured results
Air oxidation of Ni-3D to Ni-3D-ox increases conductivity by generating charge carriers/localized sites and lowering the optical gap.
Caveat: Oxidised 3D conductivity remains far below Ni-1D/Ni-2D and follows VRH rather than Arrhenius band-like behaviour.
main p.8, article p.5590 · Electrical Conductivity · Figure 8b · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Ni-1D; NiTIBQ | NiC6H4O2N4; SI elemental-analysis basis NiC6H4N4O2Square-planar Ni2+ ions in 1D TIBQ-Ni chains. · Oxidised/deprotonated tetraaminobenzoquinone-derived TIBQ. | 1D · PristineMonoclinic C2/m chain packing from synchrotron PXRD Rietveld refinement; brick-wall packed chains with short interchain donor-acceptor pi-pi stacking. | main p.3, article p.5585 · Ni-Based Nonporous Frameworks · Figure 3 |
| Ni-2D; NiTIBQ(H2O) | NiC6H4O3N4 in main text; SI elemental-analysis basis NiC6H2N4O2.H2OSquare-planar Ni2+ ions chelated by TIBQ chains; adjacent chains bridged by H2O molecules into 2D layers. · Oxidised/deprotonated tetraaminobenzoquinone-derived tetraimino-benzoquinone (TIBQ). | 2D · PristineOrthorhombic Immm 2D layered framework from cRED; eclipsed pi-pi stacking of TIBQ-Ni chains and bridging water. | main p.3, article p.5585 · Ni-Based Nonporous Frameworks · Figure 2 |
| Ni-3D; as-synthesised Ni-TIHQ framework | Ni-TIHQ framework; exact guest content not specified before oxidationOctahedral Ni nodes in rod secondary building units after oxidation assignment. · Reduced tetraaminohydroquinone-derived TIHQ linkers in as-synthesised framework. | 3D · PristinePorous 3D Ni-TIHQ framework prepared under N2; oxidises rapidly in air to structurally related Ni-3D-ox. | main p.4, article p.5586 · Three-Dimensional, Porous Ni-TIHQ Framework · Figure 5 |
| Ni-3D-ox; oxidised Ni-TIHQ framework | NiC6H4O2N4 framework; activated/analysed samples retain water, e.g. NiC6H4N4O2.6H2O or .4.5H2O by EAHelical 1D rod SBUs of slightly distorted [NiN4O2] octahedra sharing axial vertices. · Oxidised TIHQ linkers: mu4-TIHQ and mu2-TIHQ connect Ni SBUs into a hexagonal lattice. | 3D · PristineTrigonal R-3m ultramicroporous 3D framework with fog topology and 1D pores. | main p.4, article p.5586 · Three-Dimensional, Porous Ni-TIHQ Framework · Figure 5 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 4 M HCl-soaked Ni-1Dresearch_0434__mat__ni_1d | Powder · Target Sample · Doped | Ni-1D soaked in 4 M HCl(aq.) for 24 h, filtered, washed with water/methanol, air-flow dried and vacuum dried at 85 C overnight. | SI p.10 · Acid/base treatment of Ni-1D · Figures S39-S41 |
| 1 M KOH-treated Ni-1Dresearch_0434__mat__ni_1d | Powder · Target Sample · Doped | Ni-1D soaked in 1 M KOH methanol solution for 24 h, filtered, washed with water/methanol, air-flow dried and vacuum dried at 85 C overnight. | SI p.10 · Acid/base treatment of Ni-1D · Figures S17 and S39 |
| Ni-1D rods/bricksresearch_0434__mat__ni_1d | Powder · Target Sample · Pristine Framework | Black crystalline precipitate filtered under ambient conditions, washed with DI water and methanol, then dried at room temperature under dynamic vacuum for at least 24 h. | SI p.9 · Synthesis of Ni-1D rods/bricks |
| NiTIBQ(D2O/H2O) rodsresearch_0434__mat__ni_2d | Powder · Target Sample · Guest Loaded | D2O isotope analogue, filtered under N2, washed with degassed D2O and used immediately for ATR-FTIR/PXRD. | SI p.9 · Synthesis of NiTIBQ(D2O/H2O) rods · Figure S10 |
| Fresh Ni-2D rodsresearch_0434__mat__ni_2d | Powder · Target Sample · Pristine Framework | Black crystalline precipitate filtered under N2, washed with degassed DI water, briefly dried under N2 flow and used immediately. | SI p.9 · Synthesis of Ni-2D rods |
| Activated Ni-3D-oxresearch_0434__mat__ni_3d_ox | Powder · Target Sample · Guest Loaded | Activated under dynamic vacuum at 100-110 C; retained water remains in pores. | main p.5, article p.5587 · Three-Dimensional, Porous Ni-TIHQ Framework · Figures S24-S27 |
| Ni-3D-ox from ambient workupresearch_0434__mat__ni_3d_ox | Powder · Target Sample · Pristine Framework | Reaction mixture filtered and washed with DI water under ambient conditions; black solid dried under air flow. | SI p.10 · Workup in the ambient condition gives Ni-3D-ox · Figures S18-S20 |
| As-synthesised Ni-3D rods worked up under N2research_0434__mat__ni_3d | Powder · Target Sample · Pristine Framework | Brown crystals decanted and washed with degassed DI water at least three times, dried under N2 flow. | SI p.10 · Synthesis of Ni-3D rods |
| Ni framework electronic-structure model systemsresearch_0434__mat__ni_1d | Model · Model System · Model | DFT and wavefunction analysis context for ligand and framework electronic interpretation.not_applicable | SI p.7 · DFT calculations · Figures 1 and S2 |