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Related Concept Videos

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...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse.
2D NMR: Homonuclear Correlation Spectroscopy (COSY)01:06

2D NMR: Homonuclear Correlation Spectroscopy (COSY)

Homonuclear correlation spectroscopy, or COSY, is a 2-dimensional NMR technique that provides information about coupled protons. Typically, the geminal and vicinal coupling are observed. For example, consider the COSY spectrum of ethyl acetate, where its 1D proton NMR spectrum is plotted along the vertical and horizontal axes with their corresponding chemical shift scale. Three spots on the diagonal corresponding to the three peaks in the 1D proton spectrum are called diagonal peaks. The COSY...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.

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Related Experiment Video

Updated: Jun 3, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

Two-dimensional NMR correlation experiments in the gas phase.

Alexander A Marchione1

  • 1DuPont Central Research and Development, Experimental Station, Wilmington, DE 19803, USA. alexander.a.marchione@usa.dupont.com

Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|March 5, 2011
PubMed
Summary
This summary is machine-generated.

Two-dimensional Nuclear Magnetic Resonance (NMR) correlation experiments like COSY, HSQC, and HMBC are now applicable to gaseous analytes for structural elucidation. These NMR techniques enable rapid analysis of volatile hydrocarbons and fluorocarbons.

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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

Published on: July 27, 2022

Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry

Background:

  • Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure determination.
  • Traditional NMR experiments are typically performed on liquid or solid samples.
  • Adapting NMR techniques for gaseous analytes presents unique challenges due to sample properties.

Purpose of the Study:

  • To report the successful application of standard 2D NMR correlation experiments to gaseous analytes.
  • To demonstrate the utility of these methods for structural elucidation of volatile compounds.
  • To explore the potential of gas-phase NMR for efficient and sensitive analyses.

Main Methods:

  • Application of standard 2D NMR sequences including COSY, HSQC, and HMBC.
  • Utilizing (19)F or (13)C as the observed nucleus.
  • Leveraging spin-rotation relaxation for enhanced experiment speed and sensitivity.

Main Results:

  • Demonstrated successful implementation of COSY, HSQC, and HMBC on gaseous hydrocarbons and fluorocarbons.
  • Achieved rapid acquisition times, such as a 6-second (19)F COSY spectrum.
  • Enabled previously impractical experiments, like gas-phase INADEQUATE at natural isotopic abundance within 14 hours.
  • Observed that NOE-based experiments were unsuccessful for the studied gaseous systems.

Conclusions:

  • Standard 2D NMR correlation experiments are effective for the structural elucidation of gaseous analytes.
  • Efficient spin-rotation relaxation in gas-phase NMR allows for rapid and sensitive experiments.
  • This methodology expands the scope of NMR spectroscopy to volatile organic compounds.