Measurement evidence
Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions · Choi J.Y., Wang M., Check B. et al. · Small · 2023 · 2206988
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Cu3(TATHB)2 / Cu-TATHB (x = 0) · Pellet
Cary 630 ATR FT-IR spectrophotometer.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| C-N stretching band | around 1230 cm^-1 | — | — | Text Rounded Reported | p002 · Synthesis and Characterizations · Figure 1c |
| C-O stretching band | around 1032 cm^-1 | — | — | Text Rounded Reported | p002 · Synthesis and Characterizations · Figure 1c |
Cu3(TATHB)2 / Cu-TATHB (x = 0) · Pellet
Thermo VG Scientific K-alpha spectrometer with Al K alpha X-ray source.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS atomic percent C 1s | 54.86% | — | — | SI Table Exact Reported | S9 · Quantitative analysis · Table S2 |
| XPS atomic percent Cu 2p | 8.87% | — | — | SI Table Exact Reported | S9 · Quantitative analysis · Table S2 |
| XPS atomic percent N 1s | 17.46% | — | — | SI Table Exact Reported | S9 · Quantitative analysis · Table S2 |
| XPS atomic percent O 1s | 18.81% | — | — | SI Table Exact Reported | S9 · Quantitative analysis · Table S2 |
| Cu 2p3/2 Cu(0/I) binding energy | 933 eV | — | — | Text Rounded Reported | p002 · Synthesis and Characterizations · Figure S6b |
| Cu 2p3/2 Cu(II) binding energy | 935.2 eV | — | — | Text Exact Reported | p002 · Synthesis and Characterizations · Figure S6b |
| XPS N:O atomic ratio | 1:1.08 | — | — | Text Exact Reported | p002 · Synthesis and Characterizations · Figure S6a; Table S2 |
| XPS (O+N):Cu atomic ratio | 4.09:1 | — | — | Text Exact Reported | p002 · Synthesis and Characterizations · Figure S6a; Table S2 |
Cu3(HAB)(TATHB) · Pellet
5 mg sample digested in 0.4 mL D2O and 0.1 mL DCl (20 wt% in D2O), sonicated until dissolved; room-temperature 1H NMR.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| NMR-based HAB:TATHB ratio Cu3(TATHB)2 | 0:1 | — | — | SI Table Exact Reported | S12 · NMR analysis · Table S4 |
| NMR-based HAB:TATHB ratio Cu3(HAB)0.5(TATHB)1.5 | 1:2.6 | — | — | SI Table Exact Reported | S12 · NMR analysis · Table S4 |
| NMR-based HAB:TATHB ratio Cu3(HAB)(TATHB) | 1:0.9 | — | — | SI Table Exact Reported | S12 · NMR analysis · Table S4 |
| NMR-based HAB:TATHB ratio Cu3(HAB)1.5(TATHB)0.5 | 2.7:1 | — | — | SI Table Exact Reported | S12 · NMR analysis · Table S4 |
| NMR-based HAB:TATHB ratio Cu3(HAB)2 | 1:0 | — | — | SI Table Exact Reported | S12 · NMR analysis · Table S4 |
Cu3(TATHB)2 / Cu-TATHB (x = 0) · Pellet
Solution-phase UV-vis-NIR absorption spectra recorded on CARY 5000 with dispersion in isopropyl alcohol; Tauc plots derived from absorption spectra.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Optical bandgap Cu3(TATHB)2 | 0.98 eV | — | — | Text Exact Reported | p003 · Ligand-based MOF Solid Solutions · Figure 3c; Figure S8 |
| Optical bandgap Cu3(HAB)0.5(TATHB)1.5 | 0.96 eV | — | — | Text Exact Reported | p003 · Ligand-based MOF Solid Solutions · Figure 3c; Figure S8 |
| Optical bandgap Cu3(HAB)(TATHB) | 0.94 eV | — | — | Text Exact Reported | p003 · Ligand-based MOF Solid Solutions · Figure 3c; Figure S8 |
| Optical bandgap Cu3(HAB)1.5(TATHB)0.5 | 0.92 eV | — | — | Text Exact Reported | p003 · Ligand-based MOF Solid Solutions · Figure 3c; Figure S8 |
| Optical bandgap Cu3(HAB)2 | 0.91 eV | — | — | Text Exact Reported | p003 · Ligand-based MOF Solid Solutions · Figure 3c; Figure S8 |