Measurement evidence
Electronic Conductivity, Ferrimagnetic Ordering, and Reductive Insertion Mediated by Organic Mixed-Valence in a Ferric Semiquinoid Metal-Organic Framework · Darago L.E., Aubrey M.L., Yu C.J. et al. · Journal of the American Chemical Society · 2015 · 15703-15711
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Microcrystalline/crystalline powder of 1 · Powder
IR spectra of 1 and 2 compared to assign ligand valence and intervalence charge transfer features.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Broad C=O stretch region for 1 and 2 | 1510-1450 cm^-1 | — | — | Text Range | 5 · Infrared Spectroscopy · Figure 5 |
Microcrystalline/crystalline powder of 1 · Powder
Constant acceleration spectrometer with cobalt-57 rhodium source; calibrated with alpha-iron foil; samples prepared in Ar glovebox and diluted with boron nitride.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Mossbauer isomer shift of 1 | delta = 0.574(2) mm/s | — | (2) | Text Exact Reported | 3 · Results and Discussion · Figure 3 |
| Mossbauer isomer shift of 2 | delta = 0.570(3) mm/s | — | (3) | Text Exact Reported | 4 · Chemical Reduction of 1 · Figure 3 |
| Mossbauer quadrupole splitting of 1 | |DeltaEQ| = 1.279(5) mm/s | — | (5) | Text Exact Reported | 3 · Results and Discussion · Figure 3 |
| Mossbauer quadrupole splitting of 2 | |DeltaEQ| = 1.252(7) mm/s | — | (7) | Text Exact Reported | 4 · Chemical Reduction of 1 · Figure 3 |
Dark brown microcrystalline powder of Na3.2(NBu4)1.8Fe2(dhbq)3 · Powder
100 K fitted spectrum of strongly reduced Na3.2(NBu4)1.8Fe2(dhbq)3.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Mossbauer isomer shift of Na3.2 derivative site 1 | Area = 51(1)%, delta = 0.47(3) mm s-1 | — | (3) | Caption Exact Reported | S-12 · Figure S5 caption · Figure S5 |
| Mossbauer isomer shift of Na3.2 derivative site 2 | Area = 49(1)%, delta = 0.58(1) mm s-1 | — | (1) | Caption Exact Reported | S-12 · Figure S5 caption · Figure S5 |
| Electron count introduced in Na3.2 derivative | 3.0 electrons introduced per mole of framework 1 | — | — | Text Rounded Reported | S-3 · Experimental Details |
| Na insertion in Na3.2 derivative from ICP | 3.2 molar equivalents of Na+ ions per mole of 1 | — | — | Text Rounded Reported | S-3 · Experimental Details |
Microcrystalline/crystalline powder of 1 · Powder
CARY 5000 spectrophotometer; Praying Mantis air-free diffuse reflectance cell; PVDF matrix; Kubelka-Munk F(R) conversion.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Low-energy sharp absorption edge | 4500 cm^-1 | — | — | Text Rounded Reported | 5 · UV-Vis-NIR Diffuse Reflectance Spectroscopy · Figure 6 |
| Broad IVCT absorption range for 1 and 2 | 4500-14000 cm^-1 | — | — | Text Range | 5 · UV-Vis-NIR Diffuse Reflectance Spectroscopy · Figure 6 |
| IVCT nu_max of 1 | nu_max = 7000 cm^-1 | — | — | Text Rounded Reported | 5 · UV-Vis-NIR Diffuse Reflectance Spectroscopy · Figure 6 |
| IVCT nu_max of 2 | nu_max = 6300 cm^-1 | — | — | Text Rounded Reported | 5 · UV-Vis-NIR Diffuse Reflectance Spectroscopy · Figure 6 |