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Determination of sample temperature and temperature stability with 129Xe NMR
Jani Saunavaara1, Jukka Jokisaari
1NMR Research Group, Department of Physical Sciences, P.O. Box 3000, University of Oulu, FIN-90014, Finland.
The nuclear magnetic resonance (NMR) chemical shift of xenon-129 (129Xe) in liquids accurately measures sample temperature. This method is especially useful for monitoring temperature stability during NMR experiments.
Area of Science:
- Nuclear Magnetic Resonance (NMR) Spectroscopy
- Physical Chemistry
- Chemical Thermometry
Background:
- The chemical shift of xenon-129 (129Xe) dissolved in isotropic liquids is highly sensitive to solvent density.
- Solvent density is directly influenced by sample temperature, creating a link between 129Xe NMR and temperature measurement.
Purpose of the Study:
- To investigate the utility of the 129Xe chemical shift as a thermometer for measuring sample temperatures in NMR experiments.
- To evaluate the accuracy and stability monitoring capabilities of this NMR-based thermometry method.
Main Methods:
- Utilizing the 129Xe chemical shift of xenon dissolved in various isotropic liquid solvents.
- Selecting solvents with large thermal expansion coefficients, specifically carbon tetrachloride (CCl4), ethylbromide (C2H5Br), and deuterated chloroform (CDCl3).
Main Results:
- The 129Xe chemical shift demonstrates high sensitivity to solvent density, enabling accurate temperature measurements.
- The method proves particularly effective for monitoring temperature stability within NMR experiments.
- Solvents like CCl4, C2H5Br, and CDCl3 were suitable due to their significant thermal expansion properties.
Conclusions:
- The 129Xe chemical shift in isotropic liquids serves as a reliable thermometer for NMR sample temperatures.
- This technique offers a valuable tool for precise temperature determination and stability assessment in NMR studies.
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