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Related Concept Videos

NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

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NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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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...
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NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

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Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
5.4K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.2K
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...
1.2K
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

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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.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
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2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

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

1.1K
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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Single-crystal NMR spectroscopy.

Thomas Vosegaard1

  • 1Department of Chemistry and Interdisciplinary Nanoscience Center, Aarhus University, Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark.

Progress in Nuclear Magnetic Resonance Spectroscopy
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Summary
This summary is machine-generated.

Single-crystal NMR spectroscopy analyzes nuclear spin interactions in solids. This review covers instrumentation, data analysis software, and diverse research applications of this powerful solid-state NMR technique.

Keywords:
NMR probesNMR softwareSingle-crystal NMR

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Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy
  • Materials Science
  • Chemistry

Background:

  • Single-crystal (SC) NMR spectroscopy is a foundational solid-state NMR technique.
  • It enables the study of the magnitude and orientation of tensorial nuclear spin interactions in solid materials.
  • Its application spans various scientific disciplines.

Purpose of the Study:

  • To provide a comprehensive overview of single-crystal NMR spectroscopy.
  • To review advancements in SC NMR instrumentation.
  • To survey available software for SC NMR data analysis.
  • To highlight diverse and interesting applications of SC NMR across research fields.

Main Methods:

  • Review of existing literature on SC NMR instrumentation.
  • Survey of software tools designed for SC NMR data analysis.
  • Curated selection of application examples from various research areas.

Main Results:

  • Detailed presentation of SC NMR instrumentation.
  • Categorization and description of software for SC NMR data processing and interpretation.
  • Illustrative examples showcasing the utility of SC NMR in fields such as materials science, chemistry, and structural biology.

Conclusions:

  • Single-crystal NMR spectroscopy remains a vital tool for characterizing nuclear spin interactions in solids.
  • Advancements in instrumentation and software have broadened its applicability.
  • SC NMR continues to offer unique insights into molecular structure and dynamics across diverse scientific domains.