Measurement evidence
Continuous Electrical Conductivity Variation in M3(Hexaiminotriphenylene)2(M = Co, Ni, Cu) MOF Alloys · Chen T., Dou J.-H., Yang L. et al. · Journal of the American Chemical Society · 2020 · 12367-12373
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Co3(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.719 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
(Co0.51Cu2.49)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.513 eV | — | — | Text Rounded Reported | 12370 · Results and Discussion · Figure 4 |
(Co0.71Cu2.29)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.48 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co1.09Cu1.91)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.58 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co1.59Cu1.41)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.67 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co1.83Cu1.17)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.71 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co2.47Cu0.53)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.762 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
(Co0.60Ni2.40)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.395 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
(Co1.14Ni1.86)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.43 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co1.54Ni1.45)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.47 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co1.83Ni1.17)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.52 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Co2.38Ni0.62)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.662 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
Cu3(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.429 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
(Cu0.50Ni2.50)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.326 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
(Cu1.17Ni1.83)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.34 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Cu1.39Ni1.61)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.36 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Cu1.63Ni1.37)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | ~0.39 eV | — | — | Figure Axis Approximate | 12370 · Results and Discussion · Figure 4c |
(Cu2.32Ni0.68)(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.392 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
Ni3(HITP)2 powder/pellet · Powder
Diffuse reflectance spectra stitched manually with DRIFTS; Kubelka-Munk/Tauc fits used to determine optical band gaps.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| optical band gap Eo | 0.291 eV | — | — | Text Exact Reported | 12370 · Results and Discussion · Figure 4 |
Co3(HITP)2 powder/pellet · Powder
Co oxidation state and coordination
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Co 2p3/2 binding energy | 780.9 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |
| EXAFS Co-N coordination number | 3.9 | — | — | Caption Exact Reported | S45 · Section S15 · Table S6 |
| Co LMM kinetic energy | 769.7 eV | — | — | Caption Exact Reported | S40 · Section S13 · Figure S30 |
| EXAFS Co-N bond length | 1.84 Angstrom | — | — | Caption Exact Reported | S45 · Section S15 · Table S6 |
| Co 2p satellite | 786.7 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |
| Co K-edge energy | 7.7204 keV | — | — | Caption Exact Reported | S44 · Section S15 · Figure S34 |
| Co K-edge pre-edge feature | 7.7092 keV | — | — | Caption Exact Reported | S44 · Section S15 · Figure S34 |
| EPR Co2+ g features | g = 5.64 and ~1.9 | — | — | Caption Approximate | S52 · Section S17 · Figure S42 |
| N 1s anilinic amine component | 399.6 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |
| N 1s quinoid imine component | 397.9 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |
Cu3(HITP)2 powder/pellet · Powder
Cu oxidation state and coordination
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu 2p3/2 binding energy | 933.5 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |
| Cu LMM kinetic energy | 918.2 eV | — | — | Text Exact Reported | 12369 · Results · Figure S31 |
| Cu K-edge pre-edge feature | 8.9712 keV | — | — | Text Exact Reported | 12369 · Results · Figure S37 |
| EPR Cu2+ g features | g = [2.17, 2.02] | — | — | Caption Approximate | S52 · Section S17 · Figure S42 |
Ni3(HITP)2 powder/pellet · Powder
Ni oxidation state and ligand radical
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| HITP-centred radical EPR signal | g = 2.00 | — | — | Caption Exact Reported | S52 · Section S17 · Figure S42 |
| Ni 2p3/2 binding energy | 855.2 eV | — | — | Text Exact Reported | 12369 · Results · Figure S29 |