Measurement evidence
Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework · Chen G., Gee L.B., Xu W. et al. · Journal of the American Chemical Society · 2020 · 21243-21248
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
FeTHQ as-prepared pressed pellet · Pellet
0.25 wt% FeTHQ powders ground with KBr and pressed into pellets; spectra collected from 200 to 1800 nm.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Estimated optical band gap | 0.79 eV | — | — | Text Exact Reported | 21244 · main text · Figure 4a |
FeTHQ as-prepared powder · Powder
Zero applied field Mossbauer spectrum fitted by quadrupole doublets; spectra collected at 80 K and 6 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ ferric fraction | Ferric 68.2%; isomer shift 0.54 mm/s; quadrupole splitting 0.95 mm/s; linewidth 0.41 mm/s | — | isomer shift SD 0.0016; quadrupole splitting SD 0.0030; linewidth SD 0.0026 | SI Table Exact Reported | S10 · Table S4 · Table S4 |
| FeTHQ total ferrous fraction | Ferrous 1 28.5% plus Ferrous 2 3.3% = 31.8% | — | — | Calculated From Reported Exact Reported | S10 · Table S4 · Table S4 |
FeTHQ_ox · Pellet
Zero applied field Mossbauer spectrum of air-oxidised FeTHQ_ox fitted by three species at 80 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ_ox ferric fraction | 85.9% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
| FeTHQ_ox total ferrous fraction | Ferrous 1 7.8% plus Ferrous 2 6.3% = 14.1% | — | — | Calculated From Reported Exact Reported | 21246 · main text · Table S4 |
FeTHQ_red4 · Pellet
Zero applied field Mossbauer spectrum of FeTHQ_red4 fitted at 80 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ_red4 ferric fraction | 42.8% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
| FeTHQ_red4 ferrous fraction | 57.2% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
FeTHQ_redox0.5 · Pellet
Mossbauer spectrum of FeTHQ_redox0.5 after reducing air-oxidised FeTHQ_ox.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ_redox0.5 ferric fraction | 75.7% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
| FeTHQ_redox0.5 ferrous fraction | 24.3% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
FeTHQ_redox2 · Pellet
Mossbauer spectrum of FeTHQ_redox2 after reducing air-oxidised FeTHQ_ox.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ_redox2 ferric fraction | 54.5% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
| FeTHQ_redox2 ferrous fraction | 45.5% | — | — | SI Table Exact Reported | S10 · Table S4 · Table S4 |
FeTHQ as-prepared powder · Powder
HOMO level of FeTHQ measured by PESA.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| HOMO level | 5.23 eV | — | — | Text Exact Reported | 21244 · main text · Figure 4b |
FeTHQ_ox · Pellet
High-resolution Fe 2p, C 1s, and O 1s XPS comparing FeTHQ and FeTHQ_ox.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| FeTHQ Fe 2p3/2 peak | ~710.0 eV | — | ~ | Text Approximate | 21246 · main text · Figure S10a |
| FeTHQ_ox Fe 2p3/2 peak | 710.5 eV | — | — | Text Exact Reported | 21246 · main text · Figure S10a |