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Related Concept Videos

Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

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 energy to a nearby...
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...

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Related Experiment Video

Updated: Jun 3, 2026

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
07:24

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins

Published on: September 23, 2021

Spin-orbit coupling, spin relaxation, and spin diffusion in organic solids.

Z G Yu1

  • 1Physical Sciences Division, SRI International, 333 Ravenswood Avenue, Menlo Park, California 94025, USA.

Physical Review Letters
|April 8, 2011
PubMed
Summary

We developed a new method to quantify spin-orbit coupling (SOC) and explain carrier spin relaxation in organic solids. This theory accurately predicts spin diffusion in Alq3, a key material in organic electronics.

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Area of Science:

  • Organic electronics
  • Solid-state physics
  • Quantum mechanics

Background:

  • Spin-orbit coupling (SOC) is crucial for understanding electronic properties in organic solids.
  • Carrier spin relaxation mechanisms limit performance in organic electronic devices.
  • Disordered organic solids present unique challenges for theoretical modeling.

Purpose of the Study:

  • To develop a systematic approach for quantifying spin-orbit coupling (SOC).
  • To establish a rigorous theory for carrier spin relaxation driven by SOC in disordered organic solids.
  • To explain recent experimental observations of spin diffusion in tris-(8-hydroxyquinoline) aluminum (Alq3).

Main Methods:

  • Quantification of spin-orbit coupling (SOC) using an admixture parameter γ2.
  • Development of a theoretical model for spin relaxation based on polaron hopping.
  • Formulation of equations for spin relaxation time (τ(sf)) and spin diffusion length (L(s)).

Main Results:

  • SOC mixes spin-up and spin-down states within polaron states.
  • Polaron hopping between molecules induces spin flips, leading to relaxation.
  • The theory quantitatively explains temperature-dependent spin diffusion in Alq3.

Conclusions:

  • The developed theory provides a robust framework for understanding spin dynamics in organic solids.
  • The strong SOC in Alq3, due to its ligand structure, is a key factor in its spin diffusion properties.
  • This work offers insights into optimizing spin-based organic electronic devices.