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Related Concept Videos

Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

950
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,...
950
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

985
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...
985
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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

1.0K
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
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...
1.3K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

903
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
903
Catalysis02:50

Catalysis

26.8K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
26.8K

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Related Experiment Video

Updated: Jun 16, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Harnessing spin effects for heterogeneous single-atom spin catalysis.

Xu Han1, Jinxing Chen1, Peng He1

  • 1Department of Chemistry, National University of Singapore, Singapore.

National Science Review
|August 15, 2024
PubMed
Summary
This summary is machine-generated.

This perspective explores structural design and spin regulation strategies for single-atom spin catalysis. Harnessing spin effects with atomic precision enhances chemical transformation efficiency.

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Area of Science:

  • Catalysis
  • Materials Science
  • Quantum Chemistry

Background:

  • Single-atom catalysis offers high efficiency due to precise active sites.
  • Spin effects in catalysis are increasingly recognized for their potential to control reactivity.

Purpose of the Study:

  • To detail structural design principles for single-atom spin catalysts.
  • To explore strategies for effective spin regulation in these systems.
  • To highlight the role of spin effects in achieving high catalytic efficiency.

Main Methods:

  • Theoretical exploration of catalyst structures.
  • Computational modeling of spin states and their influence on reaction pathways.
  • Analysis of structure-property relationships in single-atom catalysts.

Main Results:

  • Demonstration of how specific structural motifs enable spin control.
  • Identification of key parameters for tuning spin states in active sites.
  • Correlation between controlled spin states and enhanced catalytic performance.

Conclusions:

  • Detailed structural design is crucial for effective spin regulation in single-atom spin catalysis.
  • Harnessing spin effects at the atomic level unlocks unprecedented efficiency in chemical transformations.