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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.
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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.
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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...
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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...
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Ultrabroadband 1D and 2D NMR Spectroscopy.

Yannik T Woordes1, Kyryl Kobzar2, Sebastian Ehni3

  • 1Institute for Biological Interfaces 4 - Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Kaiserstr. 12, 76131, Karlsruhe, Germany.

Angewandte Chemie (International Ed. in English)
|November 27, 2025
PubMed
Summary
This summary is machine-generated.

This study introduces optimized excitation pulses for nuclear magnetic resonance (NMR) spectroscopy, enabling the study of nuclei with wide chemical shift ranges. These advanced methods improve spectral acquisition for challenging isotopes and high-field NMR experiments.

Keywords:
BroadbandMulti‐isotopeNMR spectroscopyOptimal controlSaturation pulses

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Quantum Control Theory
  • Spectroscopic Techniques

Background:

  • Classical NMR excitation methods struggle with nuclei exhibiting broad chemical shift ranges.
  • Exciting diverse NMR-active isotopes requires specialized techniques beyond conventional broadband excitation.

Purpose of the Study:

  • To develop and demonstrate novel excitation pulse sequences for high-resolution NMR spectroscopy.
  • To enable the excitation of nuclei with wide chemical shift ranges in a single experiment.
  • To adapt these methods for multi-isotope and advanced 2D NMR experiments.

Main Methods:

  • Utilized optimized saturation pulses and xy-excitation derived from linear frequency sweeps.
  • Applied optimal control theory to refine pulse sequence design.
  • Demonstrated multi-isotope 1D, homonuclear COSY, and heteronuclear HMBC experiments.

Main Results:

  • Successfully demonstrated a multi-isotope 1D experiment covering a 6 MHz range.
  • Achieved homonuclear COSY and heteronuclear HMBC experiments spanning over 100 kHz.
  • The developed approach is adaptable to various isotopes and spectrometer fields.

Conclusions:

  • The optimized excitation strategy effectively addresses nuclei with wide chemical shift ranges.
  • This method is highly beneficial for acquiring 1D and 2D overview spectra at high magnetic fields.
  • The technique is particularly useful for wideband and low-gamma nuclei in NMR analysis.