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Related Concept Videos

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
Carbon-13 (¹³C) NMR: Overview01:10

Carbon-13 (¹³C) NMR: Overview

Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope of carbon with zero nuclear spin. Therefore, it is NMR inactive. The gyromagnetic ratio of carbon-13 is smaller than that of protons. As a result, carbon-13 resonance is about 6000 times weaker than proton resonance. For a given magnetic field strength, the resonance frequency of carbon-13 is about one-fourth of the resonance frequency for...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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...
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

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...
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 12, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

Calcium binding environments probed by (43)Ca NMR spectroscopy.

David L Bryce1

  • 1Department of Chemistry and Centre for Catalysis Research and Innovation, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada. dbryce@uottawa.ca

Dalton Transactions (Cambridge, England : 2003)
|June 25, 2010
PubMed
Summary
This summary is machine-generated.

Solid-state NMR spectroscopy of calcium-43 (43Ca) is challenging but offers structural insights. Recent advances enable detailed analysis of calcium-binding biomolecules and materials.

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Last Updated: Jun 12, 2026

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Solid-State Chemistry
  • Biomolecular Structure Analysis

Background:

  • Calcium (Ca) is vital in biomolecules and materials, but its NMR analysis is difficult due to low natural abundance and resonance frequency.
  • Quadrupolar nuclides like Calcium-43 (43Ca) present unique spectroscopic challenges.

Purpose of the Study:

  • To review experimental challenges and recent successes in solid-state and solution 43Ca NMR spectroscopy.
  • To highlight the structural information obtainable from 43Ca NMR parameters.

Main Methods:

  • Focus on solid-state 43Ca NMR spectroscopy techniques.
  • Analysis of solution 43Ca NMR studies for calcium-binding biomolecules.
  • Examination of quadrupolar and chemical shift parameters for structural insights.

Main Results:

  • Isotropic chemical shifts correlate with Ca-O distance and coordination number.
  • Quadrupolar coupling constants and chemical shift tensor spans probe polymorphism.
  • Distance measurements involving 43Ca have been successfully demonstrated.

Conclusions:

  • Solid-state 43Ca NMR is a powerful, albeit challenging, tool for structural characterization.
  • Advances in 43Ca NMR provide new opportunities for studying calcium's role in chemistry and biology.