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Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.0K
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...
1.0K
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
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.4K
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...
1.4K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.6K
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...
1.6K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.1K
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...
1.1K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.1K
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,...
1.1K

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A Phenomenological Symmetry Rule for Chemical Reactivity Under Vibrational Strong Coupling.

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Related Experiment Video

Updated: Sep 17, 2025

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
10:03

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

Published on: June 27, 2014

18.1K

Exploring Excited State Proton Transfer in Thin Films Under Vibrational Strong Coupling.

Malay Krishna Mahato1, Kavya S Mony1, Harsh Baliyan1

  • 1Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bengaluru, 560012, India.

Angewandte Chemie (International Ed. in English)
|July 2, 2025
PubMed
Summary

Vibrational strong coupling (VSC) enhances excited-state proton transfer (ESPT) in photoacids by a factor of two. This discovery offers new ways to control proton transfer reactions and develop tunable photoacid sensors.

Keywords:
Excited state proton transferFabry–Perot cavityNaphthol sulfonatePolaritonic chemistryVibrational strong coupling

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Last Updated: Sep 17, 2025

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

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Area of Science:

  • Photochemistry
  • Physical Chemistry
  • Spectroscopy

Background:

  • Excited-state proton transfer (ESPT) is influenced by molecular structure, environment, and vibrations.
  • Theoretical studies suggest light-matter strong coupling can alter proton transfer energy barriers.

Purpose of the Study:

  • To experimentally investigate the effect of vibrational strong coupling (VSC) on ESPT.
  • To use 7-hydroxy-1-naphthalenesulfonate (N8S) as a probe for ESPT under VSC conditions.

Main Methods:

  • Embedding N8S in a poly(vinyl alcohol) (PVA) matrix.
  • Achieving VSC by strongly coupling PVA's ─OH stretching vibrational modes.
  • Analyzing steady-state and time-resolved emission.

Main Results:

  • VSC enhanced the quantum yield of RO⁻ emission by a factor of two.
  • The ESPT rate constant also doubled under VSC conditions.
  • Observed enhancements were compared to control films (noncavity, half-cavity, off-resonance).

Conclusions:

  • Vibrational strong coupling can effectively control proton transfer processes.
  • VSC presents a novel approach for developing physically tunable photoacid-based sensors.