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Related Concept Videos

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

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The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
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At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
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Protons bonded to heteroatoms such as nitrogen and oxygen exhibit a range of chemical shift values. This is due to the varying degree of hydrogen bonding between the proton and the heteroatom in other molecules. The extent of hydrogen bonding affects the electron density around the proton, thereby giving different chemical shift values for the protons in the proton NMR spectrum.
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Updated: Dec 30, 2025

Exploring Protein-Glycan Interactions: Advances in Nuclear Magnetic Resonance
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NMR Relaxometry: The Canonical Case Glycerol.

M Flämig1, M Hofmann1, N Fatkullin1,2

  • 1Nordbayerisches NMR-Zentrum , Universität Bayreuth , 95440 Bayreuth , Germany.

The Journal of Physical Chemistry. B
|January 23, 2020
PubMed
Summary

We quantitatively describe glycerol's proton spin-lattice relaxation rate (R1) across wide temperatures and frequencies. This analysis reveals insights into molecular dynamics, crucial for understanding glass-forming liquids.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • Proton spin-lattice relaxation rate (R1) is a key parameter for understanding molecular dynamics in liquids.
  • Glycerol, a glass-forming liquid, exhibits complex dynamics influenced by its hydrogen bond network.
  • Previous analyses of glycerol's relaxation data had limitations, particularly concerning deuteron relaxation.

Purpose of the Study:

  • To provide a quantitative description of glycerol's proton spin-lattice relaxation rate (R1) over a broad range of temperatures and frequencies.
  • To analyze the contributions of translational and rotational molecular dynamics to the observed relaxation.
  • To establish a new analytical approach for spin relaxation in glass-forming liquids.

Main Methods:

  • Utilized field-cycling technique to cover a wide frequency range (10 kHz to 20 MHz).
  • Applied frequency-temperature superposition to construct master curves spanning 15 decades.
  • Analyzed data using models for translational (force-free hard sphere) and rotational dynamics.

Main Results:

  • Master curves for R1 were successfully constructed, reflecting both translational and rotational molecular motions.
  • The rotational dynamics showed good agreement with dielectric spectroscopy and photon correlation spectroscopy (PCS).
  • The translational contribution was well-described by the force-free hard sphere model.

Conclusions:

  • The study provides a comprehensive understanding of glycerol's molecular dynamics through spin relaxation analysis.
  • The developed approach is applicable to other glass-forming liquids and resolves issues in deuteron relaxation analysis.
  • Glycerol's distinct separation of translational and rotational dynamics is likely due to its hydrogen bond network.