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Related Concept Videos

¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

2.8K
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...
2.8K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.6K
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...
1.6K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.6K
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...
3.6K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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

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

¹H NMR: Interpreting Distorted and Overlapping Signals

1.7K
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...
1.7K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.6K
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,...
1.6K

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Determination of the Excitation and Coupling Rates Between Light Emitters and Surface Plasmon Polaritons
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Molecular Plasmon-Phonon Coupling.

Yao Cui1,2, Adam Lauchner3,2, Alejandro Manjavacas4

  • 1Department of Chemistry, Rice University , Houston, Texas 77005, United States.

Nano Letters
|September 27, 2016
PubMed
Summary
This summary is machine-generated.

Charged polycyclic aromatic hydrocarbons (PAHs) exhibit unique spectral features due to molecular plasmon-phonon interactions. An independent boson model provides a semiquantitative description of these complex absorption spectra in PAHs.

Keywords:
PAHsgrapheneplasmonicsplasmon−phonon couplingpolyacenes

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Quantum Mechanics

Background:

  • Charged polycyclic aromatic hydrocarbons (PAHs) are ultrasmall graphene analogs.
  • PAHs exhibit molecular plasmon resonances in the visible spectrum.
  • PAH absorption spectra show structured features from plasmon-vibration coupling.

Purpose of the Study:

  • To examine the molecular plasmon-phonon interaction in charged PAHs.
  • To utilize a quantum mechanical approach for spectral analysis.
  • To describe the complex spectral features of PAHs.

Main Methods:

  • Quantum mechanical approach.
  • Franck-Condon approximation.
  • Independent boson model application.

Main Results:

  • The independent boson model effectively describes PAH absorption spectra.
  • Analytical and semiquantitative insights into spectral features were obtained.
  • Demonstrated coupling between molecular plasmons and phonons.

Conclusions:

  • The study provides initial insights into plasmon-phonon coupling in molecules.
  • The independent boson model is suitable for describing PAH spectral complexity.
  • Understanding these interactions is crucial for molecular excitonics.