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posted Mar 31 '10 at 13:37

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Allright I'll try to answer. For small organic molecules 1H shifts must match precisely - on condition that sample temperature is the same in both measurements. Keep in mind that chemical shift is sensitive to temperature especially for protons participating in hydrogen bonds. There may also be chemical exchange whereby peaks can move around on heating or cooling. Chemical shift can be perturbed if the molecule can be partially oriented by the magnetic field and chemical shift is highly anisotropic (depends on orientation of the molecule with respect to the magnet). This effect can be seen in nuclei with large spread of chemical shifts (31P, 13C) and mostly at very high fields. Orientation of molecules can be perturbed either directly by the field - but this would take a special kind of molecule, or by the presence of other things that are oriented by the field - like lamellar structures or phages. There may be other exotic situations where actual chemical shift changes depending on the magnetic field alone, I hope that somebody else could fill in on this. Cheers.
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No.1 Revision

posted Mar 31 '10 at 13:39

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Allright I'll try to answer. For small organic molecules 1H shifts must match precisely - on condition that sample temperature is the same in both measurements.measurements. How well is the temperature controlled in the two instruments?

Keep in mind that chemical shift is sensitive to temperature especially for protons participating in hydrogen bonds. There may also be chemical exchange whereby peaks can move around on heating or cooling.

Chemical shift can be perturbed if the molecule can be partially oriented by the magnetic field and chemical shift is highly anisotropic (depends on orientation of the molecule with respect to the magnet). This effect can be seen in nuclei with large spread of chemical shifts (31P, 13C) and mostly at very high fields.

Orientation of molecules can be perturbed either directly by the field - but this would take a special kind of molecule, or by the presence of other things that are oriented by the field - like lamellar structures or phages.

There may be other exotic situations where actual chemical shift changes depending on the magnetic field alone, I hope that somebody else could fill in on this.

Cheers.

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No.2 Revision

posted Mar 31 '10 at 13:43

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Allright I'll try to answer. For small organic molecules 1H shifts must match precisely - on condition that sample temperature is the same same in both measurements. How well is the temperature controlled in the two instruments?instruments? You might try to use a simple methanol NMR thermometer to test this.

Keep in mind that chemical shift is sensitive to temperature especially for protons participating in hydrogen bonds. There may also be chemical exchange whereby peaks can move around on heating or cooling.

bonds and when there is any chemical exchange.

Chemical shift itself can be perturbed if the molecule can be partially oriented by the magnetic field and chemical shift is highly anisotropic (depends on orientation of the molecule with respect to the magnet). This effect can be seen in nuclei with large spread of chemical shifts (31P, 13C) and mostly at very high fields.

Orientation of molecules can be perturbed by the magnetic field either directly by the field - but this would take a special kind of molecule, molecule - or by the presence of other things that are oriented by the field - like lamellar structures or phages.

There may be other exotic situations where actual chemical shift changes depending on the magnetic field alone, I hope that somebody else could fill in on this.

Cheers.

click to hide/show revision 4
No.3 Revision

posted Mar 31 '10 at 13:44

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Allright I'll try to answer. For small organic molecules 1H and 13C shifts must match precisely - on condition that sample temperature is the same in both measurements. How well is the temperature controlled in the two instruments? You might try to use a simple methanol NMR thermometer to test this.

Keep in mind that chemical shift is sensitive to temperature especially for protons participating in hydrogen bonds and when there is any chemical exchange.

Chemical shift itself can be perturbed if the molecule can be partially oriented by the magnetic field and chemical shift is highly anisotropic (depends on orientation of the molecule with respect to the magnet). This effect can be seen in nuclei with large spread of chemical shifts (31P, 13C) and mostly at very high fields.

Orientation of molecules can be perturbed by the magnetic field either directly - but this would take a special kind of molecule - or by the presence of other things that are oriented by the field - like lamellar structures or phages.

There may be other exotic situations where actual chemical shift changes depending on the magnetic field alone, I hope that somebody else could fill in on this.

Cheers.

click to hide/show revision 5
No.4 Revision

posted Mar 31 '10 at 14:22

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Allright I'll try to answer. For small organic molecules 1H and 13C shifts must match precisely - on condition that sample temperature is the same in both measurements. How well is the temperature controlled in the two instruments? You might try to use a simple methanol NMR thermometer to test this.

Keep in mind that chemical shift is sensitive to temperature especially for protons participating in hydrogen bonds and when there is any chemical exchange.

Chemical shift itself can be perturbed if the molecule can be partially oriented by the magnetic field and chemical shift is highly anisotropic (depends on orientation of the molecule with respect to the magnet). This effect can be seen in nuclei with large spread of chemical shifts (31P, 13C) and mostly at very high fields.

Orientation of molecules can be perturbed by the magnetic field either directly - but this would take a special kind of molecule (it has to be highly asymmetric) - or by the presence of other things that are oriented by the field - like lamellar structures or phages.

There may be other exotic situations where actual chemical shift changes depending on the magnetic field alone, I hope that somebody else could fill in on this.

Cheers.

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