X-band electron spin resonance spectroscopy with Varian E-4 spectrometers; goniometer orientation dependence; numerical double integration for intensity
single crystals of Ni(pc)Br · Single Crystal
Measurements from 300-90 K with cold N2 gas and down to 5 K with a Heli-tran refrigerator; EPR crystals first shown to be highly conductive.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| back charge transfer alpha squared | alpha^2 = 0.001 | — | — | Text Exact Reported | 2299 · g Values · Equation 3 |
| temperature threshold for g_parallel decrease | below 75 K | — | ca. | Text Approximate | 2299 · g Values · Figure 4 |
| ambient g_parallel | g_parallel = 2.0051 | — | — | Text Exact Reported | 2299 · g Values · Figure 4 |
| ambient g_perpendicular | g_perp = 2.0011 | — | — | Text Exact Reported | 2299 · g Values · Figure 4 |
| figure-read low-temperature EPR line width parallel to c axis | ca. 8 G at ca. 5 K from Figure 5 | — | visual estimate from plotted axis | Figure Axis Approximate | 2299 · Line Widths · Figure 5 |
| figure-read low-temperature EPR line width perpendicular to c axis | ca. 19 G at ca. 5 K from Figure 5 | — | visual estimate from plotted axis | Figure Axis Approximate | 2299 · Line Widths · Figure 5 |
| room-temperature EPR line width lower estimate | approximately isotropic, 4-5 G | — | approximately | Text Range | 2299 · Line Widths · Figure 5 |
| room-temperature EPR line width upper estimate | approximately isotropic, 4-5 G | — | approximately | Text Range | 2299 · Line Widths · Figure 5 |
| temperature-independent EPR integrated intensity range | independent from room temperature down to 4 K | — | — | Text Exact Reported | 2298 · Electron Spin Resonance Measurements · Figure 3 |
| estimated Pauli susceptibility | 2.01 emu/mol, estimated by comparison to Ni(pc)I | — | — | Text Approximate | 2299 · Electron Spin Resonance Measurements · Figure 3 |