Measurement evidence
Diamagnetic Carrier-Doping-Induced Continuous Electronic and Magnetic Crossover in One-Dimensional Coordination Polymers · Shen Y., Cui M., Li G. et al. · Journal of the American Chemical Society · 2024 · 35367-35376
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Cu0.0Co1.0 · Powder
Curve fit in k-space and R-space; data k1-weighted and not phase-corrected.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu0.0Co1.0 Co-N EXAFS distance | Co-N R = 1.98(2) Angstrom | — | (2) Angstrom | SI Table Exact Reported | 6 · Table S1 · Table S1 |
| Cu0.0Co1.0 Co-S EXAFS distance | Co-S R = 3.05(1) Angstrom | — | (1) Angstrom | SI Table Exact Reported | 6 · Table S1 · Table S1 |
Cu1.0Co0.0 · Powder
Curve fit in k-space and R-space; data k1-weighted and not phase-corrected.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu1.0Co0.0 Cu-N EXAFS distance | Cu-N R = 1.98(1) Angstrom | — | (1) Angstrom | SI Table Exact Reported | 8 · Table S2 · Table S2 |
| Cu1.0Co0.0 Cu-S EXAFS distance | Cu-S R = 3.16(3) Angstrom | — | (3) Angstrom | SI Table Exact Reported | 8 · Table S2 · Table S2 |
all Cu-doping-ratio powders · Powder
Optical band gaps extracted from solid-state spectra as a function of Cu doping.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu0.0Co1.0 optical band gap Eg | 1.33 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.05Co0.95 optical band gap Eg | 0.87 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.3Co0.7 optical band gap Eg | 0.73 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.5Co0.5 optical band gap Eg | 0.66 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.75Co0.25 optical band gap Eg | 0.55 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.9Co0.1 optical band gap Eg | 0.49 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu0.95Co0.05 optical band gap Eg | 0.44 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
| Cu1.0Co0.0 optical band gap EgMarked as a best value within this paper | 0.3 eV | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2a,b |
all Cu-doping-ratio powders · Powder
Co and Cu XANES plus solid-state ESR used to assign tetrahedral coordination and Cu1+ oxidation.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu oxidation state in Cu1.0Co0.0 | Cu is 1+ | — | — | Text Qualitative | 15 · Figure S9 text · Figure S9 |
| Ligand oxidation state in Cu0.0Co1.0 | -2.5 | — | — | SI Table Exact Reported | 11 · Table S4 · Table S4 |
| Ligand oxidation state in Cu1.0Co0.0 | -1.5 | — | — | SI Table Exact Reported | 11 · Table S4 · Table S4 |
all Cu-doping-ratio powders · Powder
Raman peaks in 1470-1490 cm-1 region monitored versus Cu doping.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Raman peak for high-Cu compositions | 1472 cm-1 | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2c,d |
| Raman symmetric benzene stretch below 30% Cu | 1487 cm-1 | — | — | Text Exact Reported | 3 · Cu-Doping Dependence of Electronic Crossover · Figure 2c,d |
all Cu-doping-ratio powders · Powder
Qualitative XRF used to compare calculated and found Cu/Co ratios.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu0.05Co0.95 XRF found Cu fraction | Cu calc./found = 5/8.86% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |
| Cu0.3Co0.7 XRF found Cu fraction | Cu calc./found = 30/32.98% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |
| Cu0.5Co0.5 XRF found Cu fraction | Cu calc./found = 50/48.82% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |
| Cu0.75Co0.25 XRF found Cu fraction | Cu calc./found = 75/78.13% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |
| Cu0.9Co0.1 XRF found Cu fraction | Cu calc./found = 90/93.01% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |
| Cu0.95Co0.05 XRF found Cu fraction | Cu calc./found = 95/97.72% | — | — | SI Table Exact Reported | 10 · Table S3 · Table S3 |