Measurement evidence
Oxidative control over the morphology of Cu3(HHTP)2, a 2D conductive metal-organic framework · Snook K.M., Zasada L.B., Chehada D. et al. · Chemical Science · 2022 · 10472-10478
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Acros HHTP batch 2 · Model
X-band EPR at 200 K with DPPH calibration; ligand in 1:1 d6-DMSO/D2O.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| radical species concentration | 86.0 uM | — | — | Caption Exact Reported | S17 · Supplementary Figures · Figure S2 |
| radical molar fraction | <0.1 mol% | — | upper bound | Caption Approximate | S17 · Supplementary Figures · Figure S2 |
Purified HHTP plus 0.3 equiv 2,5-dichloro-1,4-benzoquinone · Model
X-band EPR at 200 K with DPPH calibration; ligand in 1:1 d6-DMSO/D2O.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| radical species concentration | 17.3 uM | — | — | Caption Exact Reported | S25 · Supplementary Figures · Figure S12 |
| radical molar fraction | <0.1 mol% | — | upper bound | Caption Approximate | S25 · Supplementary Figures · Figure S12 |
Purified HHTP plus 0.3 equiv 2,5-dichloro-1,4-benzoquinone · Model
1:1 d6-DMSO/D2O with dimethyl sulfone reference after 0.3 equiv 2,5-dichloro-1,4-benzoquinone addition.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| NMR-active HHTP fraction | 64.7 wt% | — | — | Caption Exact Reported | S24 · Supplementary Figures · Figure S11 |
| NMR-silent HHTP fraction | 26.6 wt% | — | — | Caption Exact Reported | S24 · Supplementary Figures · Figure S11 |
| quinone species recovery | 103 wt% of expected quinone species | — | — | Caption Exact Reported | S24 · Supplementary Figures · Figure S11 |
Cu3(HHTP)2 air-synthesis particles · Powder
Al Kalpha source; CasaXPS fitting; %Cu(II) estimated from main and shake-up satellite areas.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS main peak area A | 56.8% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| XPS shake-up satellite peak area B | 43.2% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| estimated Cu(II) fraction | 86.4% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
Cu3(HHTP)2 air-synthesis rods · Powder
Al Kalpha source; CasaXPS fitting; %Cu(II) estimated from main and shake-up satellite areas.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS main peak area A | 55.7% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| XPS shake-up satellite peak area B | 44.3% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| estimated Cu(II) fraction | 88.5% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
Cu3(HHTP)2 blocks, 0.3 equiv 2,5-dichloro pre-oxidant · Powder
Al Kalpha source; CasaXPS fitting; %Cu(II) estimated from main and shake-up satellite areas.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS main peak area A | 55.7% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| XPS shake-up satellite peak area B | 44.3% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| estimated Cu(II) fraction | 88.5% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
Cu3(HHTP)2 flakes, 0.5 equiv 2,5-dichloro pre-oxidant · Powder
Al Kalpha source; CasaXPS fitting; %Cu(II) estimated from main and shake-up satellite areas.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS main peak area A | 56.9% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| XPS shake-up satellite peak area B | 43.1% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| estimated Cu(II) fraction | 86.3% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
Cu3(HHTP)2 rods, 0 equiv pre-oxidant · Powder
Al Kalpha source; CasaXPS fitting; %Cu(II) estimated from main and shake-up satellite areas.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| XPS main peak area A | 52.8% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| XPS shake-up satellite peak area B | 47.2% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |
| estimated Cu(II) fractionMarked as a best value within this paper | 94.3% | — | — | SI Table Exact Reported | S14 · Supplementary Tables · Table S6 |