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Related Concept Videos

Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

1.0K
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
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Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

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In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
690
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

1.0K
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
1.0K
Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

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The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
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Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

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All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
Atomic nuclei have a net nuclear spin, , which can have an integer or half-integer value. In atomic nuclei, the spins of protons are paired against each other but not with neutrons, and vice versa. Consequently, an even number of protons does not...
2.1K
Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

338
Nuclear relaxation restores the equilibrium population imbalance and can occur via spin–lattice or spin–spin mechanisms, which are first-order exponential decay processes.
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers...
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Updated: Jul 30, 2025

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Nuclear spin diffusion under fast magic-angle spinning in solid-state NMR.

Ben P Tatman1,2, W Trent Franks1, Steven P Brown1

  • 1Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.

The Journal of Chemical Physics
|May 12, 2023
PubMed
Summary
This summary is machine-generated.

Nuclear spin diffusion transfers spin order in solid-state nuclear magnetic resonance. Fast magic-angle spinning (MAS) requires accounting for resonance offset and chemical shift to accurately model spin diffusion, impacting polarization transfer efficiency.

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Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Physical Chemistry
  • Materials Science

Background:

  • Solid-state nuclear spin diffusion is a fundamental process for transferring spin order via dipolar couplings.
  • Increasing magic-angle spinning (MAS) frequencies and magnetic fields in solid-state NMR necessitate understanding spin diffusion's behavior under these advanced conditions.
  • Accurate interpretation of common solid-state NMR experiments relies on a clear understanding of how enhanced resolution affects spin diffusion.

Purpose of the Study:

  • To investigate the coherent contributions to spin diffusion under fast MAS conditions.
  • To develop and apply a refined computational model for simulating spin diffusion.
  • To explore the influence of experimental parameters, such as resonance offset and chemical shift, on spin diffusion.

Main Methods:

  • Development of a low-order correlation in Liouville space model, building upon prior work.
  • Introduction of a novel basis set selection method accounting for resonance-offset dependence at fast MAS.
  • Inclusion of both isotropic and anisotropic chemical shift effects in the spin diffusion modeling.
  • Application of the model to case studies, including a deuterated protein sample and beta-aspartyl L-alanine.

Main Results:

  • The efficiency of polarization transfer via spin diffusion in a protein sample at 60 kHz MAS is primarily governed by resonance offset.
  • A temperature-dependent magnetization transfer was observed in beta-aspartyl L-alanine.
  • The observed temperature-dependent transfer can be attributed to the influence of incoherent relaxation-based nuclear Overhauser effect.

Conclusions:

  • The developed model provides a more accurate representation of spin diffusion under fast MAS conditions.
  • Resonance offset and chemical shift are critical factors influencing spin diffusion efficiency in advanced solid-state NMR.
  • Understanding these factors is crucial for the accurate interpretation and application of spin diffusion techniques in complex systems.