Measurement evidence
Topochemical conversion of a dense metal-organic framework from a crystalline insulator to an amorphous semiconductor · Tominaka S., Hamoudi H., Suga T. et al. · Chemical Science · 2015 · 1465-1473
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Compound 3 vacuum-dried black monolith · Unknown
JEOL JES-TE200 ESR spectrometer, 100 kHz field modulation, room temperature.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Estimated Cu(II)/unpaired-electron concentration in compound 3 | <1% | — | < | Text Approximate | 7 · Electronic states · Figure 7d |
| ESR g value for Cu(II) signal in compound 3 | g = 2.036 | — | — | Text Exact Reported | 7 · Electronic states · Figure 7d |
Compound 3 vacuum-dried black monolith · Unknown
Bruker Tensor 27; 520-4000 cm-1 at room temperature.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Major FTIR bands for compound 1 thioketone form | 1520, 1385, and 1120 cm^-1 | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 4 |
| Major FTIR bands for compound 2 thiol/deprotonated form | 1440, 1200, and 850 cm^-1 | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 4 |
| S-H and N-H stretching bands in compound 3 | S-H at 2590 cm^-1; N-H at 2900 and 3100 cm^-1 | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 4b |
Compound 3 vacuum-dried black monolith · Unknown
PerkinElmer Lambda 750 with integrating sphere; 2500-220 nm; powders diluted to 10 wt% with dry BaSO4.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Optical band gap of compound 1 in Table 1 | Eo = 2.0 eV | — | — | Table Rounded Reported | 5 · Conductivity comparison · Table 1 |
| Optical band gap of compound 3Marked as a best value within this paper | 0.6 eV | — | — | Text Exact Reported | 7 · Electronic states · Figure 7b |
| Valence-band maximum for compound 1 | about 1.0 eV | — | — | Text Approximate | 7 · Electronic states · Figure 7a |
| Valence-band maximum for compound 3 | about 0.8 eV | — | — | Text Approximate | 7 · Electronic states · Figure 7a |
Compound 3 vacuum-dried black monolith · Unknown
Ulvac-Phi PHI Quantera SXM, monochromatic Al Kalpha, 15 kV, pass energy 55 eV, step 0.1 eV; samples on conductive carbon tape.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Chlorine removal in compound 3 | no chlorine in 3 | — | — | Text Exact Reported | 5 · Chemical bonding · Figure S9 |
| Cu 2p3/2 binding energy in compound 1 | 932.2 eV | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 5a |
| Cu 2p3/2 binding energy in compound 3 | 932.5 eV | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 5a |
| Cu LMM Auger binding energy in compound 3 | 570.4 eV | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 5b |
| Aromatic thiol-form N 1s fraction in compound 3 | 59% in 3 | — | — | Text Exact Reported | 4 · Chemical bonding · Figure 5c |