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Related Concept Videos

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.3K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.3K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

936
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
936
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

214
Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
214
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

1.8K
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...
1.8K
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
Resonance and Hybrid Structures02:16

Resonance and Hybrid Structures

16.9K
According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
16.9K

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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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Resonance and structural assignment in (car)borane clusters using 11B residual quadrupolar couplings.

Franziska Rüttger1, Dietmar Stalke1, Michael John1

  • 1Institute of Inorganic Chemistry, Georg-August-University of Göttingen, Germany. mjohn@gwdg.de.

Chemical Communications (Cambridge, England)
|November 28, 2023
PubMed
Summary

A novel nuclear magnetic resonance (NMR) method uses 11B residual quadrupolar couplings (RQCs) in stretched gels to verify structures and assign resonances for carborane clusters.

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Area of Science:

  • Chemistry
  • Materials Science

Background:

  • Boron-containing clusters, such as carboranes, are important in various chemical applications.
  • Determining the precise structure and boron-11 (11B) resonance assignments in these clusters is crucial for understanding their properties.
  • Existing methods for structural verification and resonance assignment can be challenging for complex carborane systems.

Purpose of the Study:

  • To introduce a new nuclear magnetic resonance (NMR) technique for structural verification.
  • To enable accurate 11B resonance assignment in carborane clusters.
  • To demonstrate the applicability of this method to various boron-containing compounds.

Main Methods:

  • Measurement of 11B residual quadrupolar couplings (RQCs).
  • Utilizing a stretched polystyrene (PS) gel matrix to induce anisotropy.
  • Application of the method to ortho-carborane, a reduced symmetry derivative, meta-carborane, and decaborane.

Main Results:

  • Successful structural verification of carborane clusters was achieved.
  • The method provided reliable 11B resonance assignments.
  • The technique proved effective for compounds with varying symmetry, including ortho-carborane, meta-carborane, and decaborane.

Conclusions:

  • The developed NMR method offers a powerful tool for characterizing carborane structures.
  • Residual quadrupolar couplings in stretched gels are effective for 11B resonance assignment.
  • This technique advances the study of boron-containing clusters.