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Related Concept Videos

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

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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...
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Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
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Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

894
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...
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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.3K
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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Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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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...
1.0K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.0K
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...
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Related Experiment Video

Updated: Jun 11, 2025

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
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Dynamic Jahn-Teller effect in the strong spin-orbit coupling regime.

Ivica Živković1, Jian-Rui Soh2, Oleg Malanyuk2

  • 1Laboratory for Quantum Magnetism, Institute of Physics, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland. ivica.zivkovic@epfl.ch.

Nature Communications
|October 3, 2024
PubMed
Summary
This summary is machine-generated.

This study reveals Ba2MgReO6 as a dynamic Jahn-Teller system under strong spin-orbit coupling. It shows this instability creates a ground-state doublet, persisting to low temperatures.

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Area of Science:

  • Condensed Matter Physics
  • Quantum Materials
  • Solid-State Chemistry

Background:

  • Exotic quantum phases arise from complex interactions of charge, spin, lattice, and orbital degrees of freedom.
  • The Jahn-Teller effect, a form of entangled behavior, involves lattice distortions that lift orbital degeneracy.

Purpose of the Study:

  • To investigate the dynamic Jahn-Teller effect in the 5d1 double perovskite Ba2MgReO6.
  • To explore the interplay between dynamic Jahn-Teller effects and strongly correlated electron behavior in the strong spin-orbit coupling regime.

Main Methods:

  • Thermodynamic experiments
  • Resonant inelastic x-ray scattering (RIXS)
  • Quantum chemistry calculations

Main Results:

  • Ba2MgReO6 exhibits a dynamic Jahn-Teller system in the strong spin-orbit coupling regime.
  • The Jahn-Teller instability drives a ground-state doublet, resolving a key puzzle for this class of compounds.
  • The dynamic ReO6 octahedra persist to low temperatures, coexisting with multipolar order.

Conclusions:

  • Ba2MgReO6 is a rare example of a dynamic Jahn-Teller system with strong spin-orbit coupling.
  • The findings provide insights into the interplay between dynamic Jahn-Teller effects and correlated electron phenomena.