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¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.0K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.0K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

938
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...
938
Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

1.9K
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...
1.9K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.4K
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...
1.4K
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.1K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.1K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

1.0K
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...
1.0K

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Related Experiment Video

Updated: Jun 28, 2025

High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy
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Multidimensional Spectroscopy of Nuclear Spin Clusters in Diamond.

Konstantin Herb1, Takuya F Segawa1,2, Laura A Völker1

  • 1Department of Physics, ETH Zurich, Otto Stern Weg 1, 8093 Zurich, Switzerland.

Physical Review Letters
|April 13, 2024
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Summary

Researchers developed advanced Fourier spectroscopy for optically active spin defects. This technique enhances the mapping of carbon-13 nuclear spin environments around nitrogen-vacancy centers for molecular analysis.

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Area of Science:

  • Solid-state physics
  • Quantum sensing
  • Spectroscopy

Background:

  • Optically active spin defects in solids are valuable for sensitive nuclear spin cluster investigations.
  • Near-surface defects are crucial for molecular structure analysis via nuclear magnetic resonance (NMR).
  • Enhanced spectroscopic characterization is needed for precise nuclear environment mapping.

Purpose of the Study:

  • To develop advanced Fourier spectroscopy techniques for improved localization and mapping of nuclear spin environments.
  • To demonstrate the application of these techniques to shallow nitrogen-vacancy centers at room temperature.
  • To enhance the use of spin defects for molecular structure analysis in chemical and biological contexts.

Main Methods:

  • Utilized multidimensional spectroscopy, adapted from classical NMR.
  • Employed weak measurements of single-nuclear-spin precession.
  • Applied Fourier spectroscopy to ^{13}C nuclear spin environments of individual, shallow nitrogen-vacancy centers.

Main Results:

  • Achieved improved nuclear spin localization by encoding hyperfine components along spectral dimensions.
  • Demonstrated spectral editing of nuclear-spin pairs.
  • Successfully measured internuclear coupling constants.

Conclusions:

  • The developed Fourier spectroscopy techniques significantly improve the mapping of nuclear spin environments.
  • These methods provide new tools for detailed spectroscopic analysis of molecular structures using single-spin probes.
  • This research advances the application of quantum defects for high-resolution chemical and biological sensing.