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Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

1.0K
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...
1.0K
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

1.0K
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.
1.0K
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

2.2K
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.
2.2K
Atomic Nuclei: Nuclear Magnetic Moment00:59

Atomic Nuclei: Nuclear Magnetic Moment

2.9K
All atomic nuclei are positively charged. When they have a nonzero spin, they behave like rotating charges. As a consequence of their charge and spin, these nuclei generate a magnetic field (B). This, in turn, gives rise to a magnetic moment (μ), which is randomly oriented in the absence of an external magnetic field. When an external magnetic field (B0) is applied, the magnetic moment vectors can align with the field or against it in 2 + 1 orientations. A hydrogen nucleus, which is just a...
2.9K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.4K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.4K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

1.6K
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 one, the...
1.6K

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Updated: Dec 8, 2025

Hyperpolarized Xenon for NMR and MRI Applications
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Hyperpolarized Xenon for NMR and MRI Applications

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Nuclear magnetization distribution effect in molecules: Ra+ and RaF hyperfine structure.

Leonid V Skripnikov1

  • 1Petersburg Nuclear Physics Institute Named By B.P. Konstantinov of National Research Centre "Kurchatov Institute", Gatchina, Leningrad 188300, Russia.

The Journal of Chemical Physics
|September 23, 2020
PubMed
Summary

Accurate predictions of radium fluoride (RaF) molecule hyperfine structure are crucial for new physics searches. This study introduces a method to calculate nuclear magnetization effects, simplifying experimental preparation and improving theoretical accuracy.

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Area of Science:

  • Atomic and Molecular Physics
  • Nuclear Physics
  • Quantum Chemistry

Background:

  • Laser spectroscopy of radioactive RaF molecules is key for new physics searches.
  • Radium nuclei's octupole deformation and parity-mixed levels are of significant interest.
  • Accurate theoretical predictions are needed to aid experimental efforts.

Purpose of the Study:

  • To develop a reliable theoretical method for predicting the hyperfine structure of RaF molecules.
  • To account for the Bohr-Weisskopf (BW) effect, arising from finite nuclear magnetization distribution.
  • To simplify the calculation of nuclear effects on molecular hyperfine structure.

Main Methods:

  • Expressing the nuclear magnetization contribution using a single BW matrix element, independent of specific nuclear models.
  • Extracting this parameter from existing electronic structure data of ions, atoms, or molecules.
  • Applying the method to calculate the hyperfine structure contribution for 225Ra+ and 225RaF.

Main Results:

  • A novel approach to calculate the Bohr-Weisskopf effect in RaF molecules was established.
  • The nuclear magnetization distribution contribution to the hyperfine structure constant was quantified.
  • For 225RaF, this contribution was found to be 4% for the ground state.

Conclusions:

  • The proposed method simplifies the prediction of hyperfine structure in atoms and molecules.
  • It allows for the separation of nuclear and electronic correlation problems.
  • This approach enhances the accuracy of theoretical predictions for experiments searching for new physics.