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Related Concept Videos

Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals01:17

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals

Ideally, an unpaired electron shows a single peak in the EPR spectrum due to the transition between the two spin energy states. However, coupling interactions can occur between the spins of the unpaired electron and any neighboring spin-active nuclei. This hyperfine coupling results in hyperfine splitting, where the EPR signal is split into multiplets. The signals split into 2nI + 1 peaks, where n is the number of equivalent nuclei and I is the nuclear spin. These splitting patterns provide...
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...
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,...
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...
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...

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Related Experiment Video

Updated: Jun 21, 2026

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
11:19

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Published on: July 4, 2016

Three-spin correlations in double electron-electron resonance.

Gunnar Jeschke1, Muhammad Sajid, Miriam Schulte

  • 1ETH Zürich, CH-8093 Zürich, Switzerland. gunnar.jeschke@phys.chem.ethz.ch

Physical Chemistry Chemical Physics : PCCP
|July 30, 2009
PubMed
Summary
This summary is machine-generated.

Accurate distance measurements using pulse electron paramagnetic resonance require accounting for multi-spin interactions. This study introduces a method to separate pair and three-spin contributions, improving distance distribution accuracy in complex systems.

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Last Updated: Jun 21, 2026

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Area of Science:

  • Biophysics
  • Chemical Physics
  • Spectroscopy

Background:

  • Pulse electron paramagnetic resonance (EPR) techniques are vital for distance measurements in complex molecular systems.
  • Multi-spin systems (more than two spin labels) introduce signal artifacts due to unaddressed dipolar frequency combinations.
  • These artifacts, often neglected, cause significant broadening in distance distribution analysis.

Purpose of the Study:

  • To develop and validate a method for accurately analyzing distance measurements in systems with multiple spin labels.
  • To mitigate artifacts caused by sum and difference dipolar frequency combinations in EPR data.
  • To enable precise determination of interspin distances and angles in multi-spin systems.

Main Methods:

  • Utilizing double electron-electron resonance (DEER) with variable pump pulse inversion efficiency.
  • Applying polynomial fitting to DEER data at each time point to separate contributions.
  • Developing and fitting a general triangle model to analyze multi-spin systems (triradicals).

Main Results:

  • A novel method effectively separates pair and three-spin contributions in DEER experiments.
  • The approach significantly improves the accuracy of distance distributions compared to traditional methods.
  • The three-spin contribution provides valuable information on inter-spin vector angles.
  • Analysis of various triradicals demonstrates satisfying agreement between experimental and expected triangle geometries.

Conclusions:

  • The developed method enhances the precision of distance measurements in multi-spin systems using pulse EPR.
  • Accurate analysis of dipolar frequency combinations is crucial for reliable distance distribution determination.
  • This technique offers a powerful tool for structural elucidation of complex spin-labeled molecules.