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Related Concept Videos

¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

5.2K
When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
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Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

1.0K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
1.0K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.4K
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...
1.4K
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

921
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...
921
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

1.7K
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...
1.7K

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Multinuclear Residual Quadrupolar Couplings for Structure and Assignment.

Michael John1, Franziska Rüttger1

  • 1Fakultät für Chemie, Georg-August-Universität Göttingen, Tammannstrasse 4, D-37077, Göttingen.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|March 11, 2024
PubMed
Summary
This summary is machine-generated.

Stable isotopes with nuclear spin >1/2 are challenging for nuclear magnetic resonance (NMR) detection. This study explores using residual quadrupolar couplings (RQCs) of other nuclei, like lithium-7 and boron-11, for structural information in solution NMR.

Keywords:
NMR spectroscopyboronelectric field gradientlithiumquadrupole coupling

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Isotope Chemistry
  • Structural Biology

Background:

  • Stable isotopes with nuclear spin greater than 1/2 present detection challenges in Nuclear Magnetic Resonance (NMR) due to quadrupole interactions.
  • Quadrupole interactions, while challenging, offer a valuable source of structural information.
  • Residual Quadrupolar Couplings (RQCs) in weakly oriented samples can be utilized in solution NMR.

Purpose of the Study:

  • To highlight recent advancements in utilizing Residual Quadrupolar Couplings (RQCs) for Nuclear Magnetic Resonance (NMR) analysis.
  • To extend the application of RQCs beyond deuterium (2H) to other nuclei.
  • To demonstrate the potential of RQCs for structural verification and enantiomeric discrimination using less common isotopes.

Main Methods:

  • Exploiting quadrupole interactions in weakly oriented samples.
  • Applying Nuclear Magnetic Resonance (NMR) techniques to measure Residual Quadrupolar Couplings (RQCs).
  • Focusing on the RQC analysis of lithium-7 (7Li) and boron-11 (11B) nuclei.

Main Results:

  • Demonstration of the utility of RQCs for structural information beyond deuterium.
  • Successful application of RQCs for 7Li and 11B nuclei in solution NMR.
  • Validation of RQCs as a method for structure verification and enantiomeric discrimination with novel isotopes.

Conclusions:

  • Residual Quadrupolar Couplings (RQCs) offer a powerful method for extracting structural data from stable isotopes with nuclear spin >1/2.
  • The application of RQCs can be successfully extended to nuclei like 7Li and 11B, broadening their utility in Nuclear Magnetic Resonance (NMR).
  • RQCs provide a valuable tool for molecular structure verification and enantiomeric discrimination in solution NMR.