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Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

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

Atomic Nuclei: Nuclear Spin State Population Distribution

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.
Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

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 contribute to...
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

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. This...
Atomic Nuclei: Nuclear Magnetic Moment00:59

Atomic Nuclei: Nuclear Magnetic Moment

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...
Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

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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Related Experiment Video

Updated: Jul 9, 2026

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
08:03

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Published on: April 13, 2022

Nuclear spin selection rules for reactive collision systems by the spin-modification probability method.

Kisam Park1, John C Light

  • 1Department of Chemistry, University of Chicago, Chicago, Illinois 60637, USA. kisam.park@ttu.edu

The Journal of Chemical Physics
|December 18, 2007
PubMed
Summary
This summary is machine-generated.

This study generalizes the spin-modification probability (SMP) method for complex reactive collisions. Calculated SMP values are reusable across various systems with identical nuclei, simplifying nuclear spin selection rule analysis.

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Area of Science:

  • Quantum Chemistry
  • Chemical Physics
  • Molecular Dynamics

Background:

  • The spin-modification probability (SMP) method offers detailed insights into nuclear spin selection rules.
  • Existing methods face limitations in handling complex reactive collision systems with multiple molecular configurations.

Purpose of the Study:

  • To systematically generalize the SMP method for reactive collisions involving multiple reactant and product configurations.
  • To incorporate conservation laws for nuclear spin symmetry and total nuclear spin angular momentum.
  • To present a generalized statistical scattering theory for various rearrangement mechanisms.

Main Methods:

  • Generalization of the spin-modification probability (SMP) method.
  • Explicit consideration of nuclear spin symmetry and total nuclear spin angular momentum conservation.
  • Development of a generalized statistical scattering theory formulation.

Main Results:

  • The generalized SMP method is applicable to reactive systems with multiple molecular configurations.
  • Calculated SMP values are transferable to systems with identical nuclei of any spin and symmetry.
  • The generalized statistical scattering theory effectively represents various rearrangement mechanisms.

Conclusions:

  • The generalized SMP method provides a robust framework for analyzing nuclear spin selection rules in complex chemical reactions.
  • The reusability of SMP values simplifies calculations for diverse molecular systems and isotopomers.
  • The enhanced scattering theory facilitates the study of complex reaction dynamics and mechanisms.