Table 3.
Solution 77Se NMR Characteristics of SeM in GB1 Variantsa
|
δiso (ppm) |
FWHM (Hz) |
T1 relaxation time (ms) |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| GB1 variant | 9.4 T | 11.74 T | 14.1 T | temp (K) | Δδiso/ΔT (ppm/K) | 9.4 T | 11.74 T | 14.1 T | 9.4 T | 11.74 T | 14.1 T |
| L5SeM | 101.5 | 303 | 16 | ||||||||
| 101.4 | 298 | 10 | 21 | 186 ± 4 | |||||||
| 101.6 | 295 | 22 | 166 ± 5 | 143 ± 4 | |||||||
| 101.2 | 293 | 0.059 | 19 | ||||||||
| 100.0 | 277 | 36 | |||||||||
| I6SeM | 55.0 | 303 | 10 | ||||||||
| 52.3 | 53.7 | 298 | 11 | 22 | 363 ± 4 | ||||||
| 295 | 264 ± 3 | 225 ± 2 | |||||||||
| 53.0 | 293 | 0.190 | 14 | ||||||||
| 50.0 | 277 | 20 | |||||||||
| V29SeM | 74.5 | 303 | 7 | ||||||||
| 75.2 | 298 | 7 | 250 ± 3 | ||||||||
| 75.9 | 295 | 13 | 189 ± 2 | 152 ± 1 | |||||||
| 74.1 | 293 | 0.034 | 9 | ||||||||
| 73.6 | 277 | 13 | |||||||||
| A34SeM | 303 | ||||||||||
| 298 | |||||||||||
| 76.5 | 295 | NA | ~335 | ||||||||
| 74.8 | 293 | NA | 201 | NA | NA | NA | |||||
| 75.3 | 277 | 138 | |||||||||
| V39SeM | 82.6 | 303 | 17 | ||||||||
| 81.8 | 298 | 10 | 238 ± 1 | ||||||||
| 82.4 | 295 | 22 | 198 ± 3 | 146 ± 1 | |||||||
| 82.1 | 293 | 0.066 | 15 | ||||||||
| 80.9 | 277 | 26 | |||||||||
| V54SeM | 118.6 | 303 | 77 | ||||||||
| 120.0 | 298 | 54 | 134±2 | ||||||||
| 120.6 | 295 | 115 | 107 ± 2 | 113 ± 1 | |||||||
| 119.9 | 293 | −0.119 | 52 | ||||||||
| 121.7 | 277 | 91 | |||||||||
a
Here, δiso (ppm) and FWHM (Hz) are reported with no line broadening applied (i.e., natural line widths). The line broadening applied to derive the FWHM of GB1 A34SeM was 10 Hz. T1 values for each variant were obtained by manually integrating each peak over a same-sized interval at each field strength. Line broadening applied to spectra in T1 data sets are as follows: GB1 L5SeM, 18 Hz; GB1 I6SeM, 8 Hz; GB1 V29SeM, 5 Hz; GB1 V39SeM, 10 Hz; GB1 V54SeM, 40 Hz (these values were selected as approximately half the width (Hz) of the broadest peak in the temperature dependence set).