Sporrer L., Zhou G., Wang M. et al. · Angewandte Chemie - International Edition · 2023 · e202300186
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.
Cu2(OHPTP) is presented as the first rhombic single-crystalline 2D conjugated MOF.
Caveat: First-example claim not independently verified beyond the paper's literature comparison.
2 · Introduction · Linked to 5 structured results
THz spectroscopy indicates a charge-carrier mobility of 10 cm2 V-1 s-1, claimed as a record among semiquinoid 2D c-MOFs.
Caveat: Mobility is Drude-Smith-model-derived and strongly affected by backscattering parameter assumptions.
9 · Conclusion · Linked to 3 structured results
The electrical response depends on measurement environment; vacuum THz measurements produced substantially higher sigma_DC than ambient THz or argon contact measurements, probably because environment alters pore doping.
Caveat: The paper explicitly states this will be studied in future work; exact vacuum sigma_DC values are figure-axis estimates here.
23 · Effect of the environment on the electric properties · Figure 5 / Figure S13 · Linked to 4 structured results
Cu2(OHPTP) is a p-type semiconductor with an indirect band gap around 0.5 eV.
Caveat: UPS showed no clear valence-band maximum; p-type assignment is based on states close to EF and conductivity/THz behaviour.
2 · Abstract · Linked to 4 structured results
Layer stacking and proximity effects enhance out-of-plane band dispersion and dominate the overall transport properties.
Caveat: Based primarily on DFT comparison of monolayer and layered bulk models.
6 · Results and Discussion · Figure 3 · Linked to 4 structured results
Bulk pellet and temperature-dependent THz data support thermally activated hopping-type charge transport between crystals in polycrystalline Cu2(OHPTP).
Caveat: Mechanism is for polycrystalline samples; authors expect larger crystals to have much higher mobility.
9 · Results and Discussion · Figure 5c / Figure S12 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu2(OHPTP) | Cu2(C30H8O8)(H2O)3 from main-text composition assignment; crystallographic asymmetric formula reported as C15H5CuO4Cu(II), square-planar CuO4 units with axial O contacts from adjacent layers · 2,3,6,7,11,12,15,16-octahydroxyphenanthro[9,10:b]triphenylene (OHPTP), semiquinone form | 2D · PristineOrthorhombic Cmcm layered 2D conjugated MOF with rhombic pores, AB stacking along the b-axis, and short interlayer distance. | 3 · Results and Discussion · Figure 2 |
| Cu2(OHPTP) layered bulk model | Cu2(OHPTP) layered bulk modelCu and O centres in CuO4 linkages · OHPTP-derived semiquinone linker | 2D · Model SystemHigh-spin layered bulk computational model based on the resolved stacked crystal structure. | 6 · Results and Discussion · Figure 3b |
| Cu2(OHPTP) monolayer model | Cu2(OHPTP) monolayer modelCu and O centres in CuO4 linkages · OHPTP-derived semiquinone linker | 2D · Model SystemSpin-paired computational monolayer model derived from the resolved crystal structure. | 6 · Results and Discussion · Figure 3a |
| OHPTP ligand | C30H18O8 implied by octahydroxyphenanthro[9,10:b]triphenylene; MALDI m/z 506.09 observed2,3,6,7,11,12,15,16-octahydroxyphenanthro[9,10:b]triphenylene | 0D · UnknownAir-sensitive conjugated D2h ligand precursor for Cu2(OHPTP). | 5 · Section B: Synthesis of OHPTP · Scheme S1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Activated Cu2(OHPTP) powderresearch_0157__mat__m_cu2_ohptp | Powder · Target Sample · Pristine Framework | acetone solvent exchange for 7 d, vacuum overnight, then heated under vacuum at 100 deg C overnight | 6 · Section C: Synthesis of Cu2(OHPTP) |
| Cu2(OHPTP) bulk powderresearch_0157__mat__m_cu2_ohptp | Powder · Target Sample · Pristine Framework | black powder obtained after solvothermal synthesis, filtration, water and acetone washing | 3 · Results and Discussion · Figure 1b |
| Exfoliated Cu2(OHPTP) nanosheetsresearch_0157__mat__m_cu2_ohptp | Nanosheet · Target Sample · Pristine Framework | rod crystals exfoliated into nanosheets for in-plane HRTEMTEM grid | 5 · Results and Discussion · Figure 2b |
| Thin layer of Cu2(OHPTP) on gold-coated SiO2research_0157__mat__m_cu2_ohptp | Thin Film · Target Sample · Pristine Framework | thin layer used for UPSgold-coated SiO2 | 7 · Figure caption · Figure 4b |
| Cu2(OHPTP) layered bulk DFT modelresearch_0157__mat__m_cu2_ohptp_layered_bulk_model | Model · Model System · Model | DFT/HSE06 electronic-structure model after VASP optimisationlayered bulk | 6 · Results and Discussion · Figure 3b |
| Cu2(OHPTP) monolayer DFT modelresearch_0157__mat__m_cu2_ohptp_monolayer_model | Model · Model System · Model | DFT/HSE06 electronic-structure model after geometry optimisationmonolayer | 6 · Results and Discussion · Figure 3a |
| OHPTP ligand 5research_0157__mat__m_ohptp_ligand | Powder · Unknown · Unknown | light green solid, air sensitive, stored under argon in a fridge | 5 · Section B: Synthesis of OHPTP · Scheme S1 |
| Cu2(OHPTP) pellet for van-der-Pauw conductivityresearch_0157__mat__m_cu2_ohptp | Pellet · Target Sample · Pristine Framework | pellet made from MOF powder with Ohmic contacts | 7 · Results and Discussion · Figure 4c / Figure S12 |
| Cu2(OHPTP) film on quartz glassresearch_0157__mat__m_cu2_ohptp | Thin Film · Target Sample · Pristine Framework | coated on quartz for UV-vis-NIR spectroscopyquartz glass / quartz slide | 7 · Results and Discussion · Figure 4a |
| Cu2(OHPTP) rod-like single crystalsresearch_0157__mat__m_cu2_ohptp | Single Crystal · Target Sample · Pristine Framework | activated powder dispersed in MeOH by ice-bath sonication; spin-coated or drop-coatedSi substrate or TEM grid for selected microscopy analyses | 6 · Cu2(OHPTP) single crystal isolation |
| Cu2(OHPTP) powder between fused-silica windows, 150 um, vacuumresearch_0157__mat__m_cu2_ohptp | Powder · Target Sample · Pristine Framework | powder loaded between fused silica windows for temperature-dependent THz-TDS in vacuumfused silica windows · 150 um | 8 · Figure caption · Figure 5b-c |
| Cu2(OHPTP) powder between fused-silica windows, 280 umresearch_0157__mat__m_cu2_ohptp | Powder · Target Sample · Pristine Framework | powder sandwiched between fused silica windows for ambient THz-TDSfused silica windows · 280 um | 8 · Results and Discussion · Figure 5a |