Yang M., Zhang Y., Zhu R. et al. · Angewandte Chemie - International Edition · 2024 · e202405333
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.
The three M-DHHBTN MOFs form a heterogeneous dual-pore ring-in-ring 2D framework topology with simultaneous hexagonal and rectangular pores.
Caveat: Scheme pore sizes are schematic figure-read values; pore-width distribution from N2 analysis is 1.0-1.2 nm.
2 · Introduction/Structural Characterizations · Figure 1d; Scheme 1; Figure 2 · Linked to 5 structured results
Cu-DHHBTN has the strongest THz photoconductivity, highest room-temperature THz mobility and longest OPTP/fs-TA carrier relaxation among the three M-DHHBTN films.
Caveat: THz mobility is model-derived from Drude-Smith fitting and DFT effective masses.
8 · THz Photoconductivity · Figure 6; Tables S5/S8 · Linked to 4 structured results
Cu-DHHBTN is the best bulk electrical conductor in this family, reaching 0.21 S cm-1 at 298 K and showing the lowest activation energy.
Caveat: Bulk values are measured on pressed polycrystalline pellets; authors also predict much higher pristine single-crystal mobility under c=0 assumptions.
6 · Electronic Properties · Figure 5 · Linked to 4 structured results
DFT calculations suggest anisotropic charge transport with important out-of-plane pathways and higher DOS near the Fermi level for Cu-DHHBTN than comparative Cu-HHB, Cu-HHTP and Cu-HHTN models.
Caveat: Computational claim depends on model structure and DFT settings; no synthesis routes are attached to comparative model systems.
S19-S20 · Computational Study of Electronic Properties · Figures S23-S25 · Linked to 5 structured results
Mixed valence of the DHHBTN ligand and Cu(II)/Cu(I) in Cu-DHHBTN is proposed to facilitate charge transfer and enhance conductivity.
Caveat: Mechanistic assignment is inferred from spectroscopy and comparison to literature rather than direct transport-pathway measurement.
5 · Analysis of the Electronic Structure · Figure 4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co-DHHBTN | Co3(C54H18O12)Co MO4-type nodes; Co(II) assigned by XPS/XAFS · DHHBTN catecholate/semiquinone/quinone ligand | 2D · PristineRing-in-ring dual-pore honeycomb topology; eclipsed layered packing; P6/MMM model, a=b=30.15 A, c=3.43 A. | 2 · Results and Discussion · Figure 2 |
| Cu-DHHBTN | Cu3(C54H18O12)Cu MO4-type nodes; mixed Cu(II)/Cu(I) by XPS · DHHBTN catecholate/semiquinone/quinone ligand | 2D · PristineRing-in-ring dual-pore honeycomb topology; slipped-parallel layered packing; a=29.73 A, b=30.04 A, c=3.47 A. | 2 · Structural Characterizations · Figure 2; Figure S7c |
| Cu-HHB modelBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu hexahydroxybenzene framework modelCuO4 nodes · HHB ligand model | 2D · Model SystemComparative homogeneous-pore computational model used for band/DOS and charge-density comparisons. | S19 · Computational Study of Electronic Properties · Figure S23 |
| Cu-HHTN model | Cu HHTN framework modelCuO4 nodes · HHTN ligand model | 2D · Model SystemComparative computational model for band dispersion and DOS near the Fermi level. | S19 · Computational Study of Electronic Properties · Figure S23 |
| Cu-HHTP modelBrowse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu HHTP framework modelCuO4 nodes · HHTP ligand model | 2D · Model SystemComparative computational model for band dispersion and DOS near the Fermi level. | S19 · Computational Study of Electronic Properties · Figure S23 |
| DHHBTN ligand | C54H30O12None · 2,3,6,7,12,13,16,17,22,23,26,27-dodechydroxylhexabenzo[a,c,k,m,u,w]trinaphthylene | 0D · Model SystemD3h-symmetric dodecatopic branched conjugated ligand prepared through Suzuki coupling, Scholl reaction and dealkylation. | 2 · Synthesis of M-DHHBTN MOFs · Scheme S1 cited |
| Ni-DHHBTN | Ni3(C54H18O12)Ni MO4-type nodes; Ni(II) assigned by XPS/XAFS · DHHBTN catecholate/semiquinone/quinone ligand | 2D · PristineRing-in-ring dual-pore honeycomb topology; eclipsed layered packing; P6/MMM model, a=b=30.21 A, c=3.43 A. | 2 · 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 |
|---|---|---|---|
| Activated Co-DHHBTN for N2 sorptionresearch_0762__mat__co_dhhbtn | Powder · Target Sample · Pristine Framework | Soaked in water at 60 C for 18 h with solvent exchanges every 6 h; dried at 60 C under 20 mTorr for 24 h. | S24 · Brunauer-Emmett-Teller Analysis · Figure S32 |
| Co-DHHBTN thin film on fused silica/quartzresearch_0762__mat__co_dhhbtn | Thin Film · Target Sample · Pristine Framework | MOF membrane formed at liquid/liquid interface and transferred to quartz substrate.quartz/fused silica · ca. 340 nm by AFM | S21 · Preparation of M-DHHBTN MOF Films · Figure S38 |
| Co-DHHBTN pressed pelletresearch_0762__mat__co_dhhbtn | Pellet · Target Sample · Pristine Framework | 30 mg powder pressed in 6 mm die for 5 min at 1000 psi.0.3 mm | S25 · Conductivity Measurement · Figure S34 |
| Co-DHHBTN powderresearch_0762__mat__co_dhhbtn | Powder · Target Sample · Pristine Framework | Brownish-black solid collected by centrifugation, washed with water and ethanol, and dried under vacuum at 40 C for 24 h. | S8 · Synthesis of Co-DHHBTN MOF · Scheme S2 |
| Co-DHHBTN computational modelresearch_0762__mat__co_dhhbtn | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |
| Activated Cu-DHHBTN for N2 sorptionresearch_0762__mat__cu_dhhbtn | Powder · Target Sample · Pristine Framework | Soaked in water at 60 C for 18 h with solvent exchanges every 6 h; dried at 60 C under 20 mTorr for 24 h. | S24 · Brunauer-Emmett-Teller Analysis · Figure S32 |
| Cu-DHHBTN thin film on fused silica/quartzresearch_0762__mat__cu_dhhbtn | Thin Film · Target Sample · Pristine Framework | MOF membrane formed at liquid/liquid interface and transferred to quartz substrate.quartz/fused silica · ca. 130 nm by AFM | S27 · Atomic Force Microscopy Images · Figure S38 |
| Cu-DHHBTN pressed pelletresearch_0762__mat__cu_dhhbtn | Pellet · Target Sample · Pristine Framework | 30 mg powder pressed in 6 mm die for 5 min at 1000 psi.0.3 mm | S25 · Conductivity Measurement · Figure S34 |
| Cu-DHHBTN powderresearch_0762__mat__cu_dhhbtn | Powder · Target Sample · Pristine Framework | Black-green solid collected by centrifugation, washed with water and ethanol, and dried under vacuum at 40 C for 24 h. | S9 · Synthesis of Cu-DHHBTN MOF · Scheme S4 |
| Cu-DHHBTN computational modelresearch_0762__mat__cu_dhhbtn | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |
| Cu-HHB computational modelresearch_0762__mat__cu_hhb_model | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |
| Cu-HHTN computational modelresearch_0762__mat__cu_hhtn_model | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |
| Cu-HHTP computational modelresearch_0762__mat__cu_hhtp_model | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |
| DHHBTN ligand bulk solidresearch_0762__mat__dhhbtn_ligand | Powder · Pristine Control · Pristine Framework | Black-purple pellet collected after BBr3 dealkylation; dried/characterised by NMR and HR-MS. | S5 · Synthesis of DHHBTN · Scheme S1 |
| Activated Ni-DHHBTN for N2 sorptionresearch_0762__mat__ni_dhhbtn | Powder · Target Sample · Pristine Framework | Soaked in water at 60 C for 18 h with solvent exchanges every 6 h; dried at 60 C under 20 mTorr for 24 h. | S24 · Brunauer-Emmett-Teller Analysis · Figure S32 |
| Ni-DHHBTN thin film on fused silica/quartzresearch_0762__mat__ni_dhhbtn | Thin Film · Target Sample · Pristine Framework | MOF membrane formed at liquid/liquid interface and transferred to quartz substrate.quartz/fused silica · ca. 120 nm by AFM | S27 · Atomic Force Microscopy Images · Figure S38 |
| Ni-DHHBTN pressed pelletresearch_0762__mat__ni_dhhbtn | Pellet · Target Sample · Pristine Framework | 30 mg powder pressed in 6 mm die for 5 min at 1000 psi.0.3 mm | S25 · Conductivity Measurement · Figure S34 |
| Ni-DHHBTN powderresearch_0762__mat__ni_dhhbtn | Powder · Target Sample · Pristine Framework | Black solid collected by centrifugation, washed with water and ethanol, and dried under vacuum at 40 C for 24 h. | S9 · Synthesis of Ni-DHHBTN MOF · Scheme S3 |
| Ni-DHHBTN computational modelresearch_0762__mat__ni_dhhbtn | Model · Model System · Model | DFT model system; no experimental synthesis route associated with this sample row. | S17-S20 · Computational Study of Electronic Properties · Figures S20-S25 |