Molecular Associations can lead to shifts in the NMR spectra. This effect is particularly strong, when hydrogen bonding is involved. The shifts are concentration dependent and temperature dependent. This fact is used when calibrating the actual temperatures in your sample with methanol (low temperature range, 178-330K) and/or ethylen glycol (high temperature range, 273-416K).
We have used neat methanol as our thermometer substance, and measured the frequency difference between its two peaks to calculate the actual sample temperature.
Temperature calibration for AVIII-800 probes
Bruker TCI CryoProbe 5mm (#38):
| Sample Set/target Temp. |
Actual Sample Temp. |
|---|
| 312 K |
311.3 K |
| 307 K |
306.4 K |
| 302 K |
301.5 K |
| 297 K |
296.4 K |
| 292 K |
291.7 K |
| 288.9 K |
288.7 K |
| 287 K |
286.8 K |
| 282 K |
281.9 K |
| 277 K |
277.1 K |
Bruker QXI 5mm probe (#37):
| Sample Set Temp. |
Actual Sample Temp. |
|---|
| 308 K |
K |
| 303 K |
K |
| 295 K |
K |
| 290 K |
K |
| 285 K |
K |
| 280 K |
K |
| 277 K |
K |
| 275 K |
K |
Temperature calibration for NEO-600 probes
Bruker TCI CryoProbe 5mm (Z159838_001):
| Sample Set/target Temp. |
Actual Sample Temp. |
|---|
| 312 K |
K |
| 307 K |
K |
| 303 K |
303 K |
| 298 K |
298 K |
| 293 K |
293 K |
| 288.9 K |
K |
| 287 K |
K |
| 282 K |
K |
| 277 K |
K |
Bruker TXI 5mm probe (Z816801_0154):
| Sample Set Temp. |
Actual Sample Temp. |
|---|
| 308 K |
K |
| 303 K |
K |
| 298 K |
K |
| 293 K |
K |
