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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

976
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...
976
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

1.9K
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...
1.9K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.1K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.1K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

1.1K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
1.1K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.5K
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...
1.5K

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1,3,5-Triphenylbenzene and Corannulene as Electron Receptors for Lithium Solvated Electron Solutions
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Structure Elucidation of Lithium Compounds Using 7 Li Residual Quadrupolar Couplings.

Franziska Rüttger1, Tim Patten1, Johannes Kretsch1

  • 1Institut für Anorganische Chemie, Georg-August Universität Göttingen, Tammannstraße 4, 37077, Göttingen, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|February 27, 2023
PubMed
Summary
This summary is machine-generated.

A novel nuclear magnetic resonance (NMR) technique uses 7Li residual quadrupolar couplings (RQCs) in stretched polystyrene gel to determine lithium compound structures in solution-like environments. This method aids in understanding lithium coordination and complex structures.

Keywords:
anisotropic NMR spectroscopyelectric field gradientslithiumquadrupole couplingsolvation

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Area of Science:

  • * Inorganic Chemistry
  • * Analytical Chemistry
  • * Structural Chemistry

Background:

  • * Elucidating lithium compound structures in solution is challenging.
  • * Traditional methods may not accurately reflect solution-state behavior.
  • * Nuclear Magnetic Resonance (NMR) spectroscopy offers potential for structural analysis.

Purpose of the Study:

  • * To introduce a new NMR method for lithium compound structure elucidation.
  • * To enable structure determination under solution-like conditions.
  • * To investigate the coordination environment of lithium ions in model complexes.

Main Methods:

  • * Measurement of 7Li residual quadrupolar couplings (RQCs) in stretched polystyrene (PS) gel.
  • * Calculation of RQCs from crystal or DFT-derived structures.
  • * Determination of alignment tensors from 1H,13C residual dipolar couplings (RDCs).

Main Results:

  • * The method was successfully applied to five lithium model complexes.
  • * Four complexes were identified as monomeric with fourfold Li coordination (two THF molecules).
  • * One complex showed monomeric structure with one THF molecule due to bulky tBu groups.

Conclusions:

  • * The developed NMR method effectively determines lithium compound structures in solution-like conditions.
  • * The findings provide insights into the coordination chemistry of lithium ions with various ligands.
  • * Structural variations in lithium complexes are influenced by ligand steric bulk and coordination number.