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Related Concept Videos

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

Spin–Spin Coupling Constant: Overview

959
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...
959
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
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.0K
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,...
1.0K
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
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

1.8K
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...
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Phonon Anharmonicity and Spin-Phonon Coupling in CrI3.

Luca Tomarchio1,2, Lorenzo Mosesso1,2, Salvatore Macis1,3

  • 1Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185 Rome, Italy.

Materials (Basel, Switzerland)
|July 29, 2023
PubMed
Summary

Chromium triiodide (CrI3) single crystals exhibit complex optical properties due to strong lattice anharmonicity and spin-phonon coupling. These interactions influence the vibrational spectrum of this van der Waals ferromagnet below its Curie temperature.

Keywords:
optical spectroscopyphonon anharmonicityspin–phonon couplingvan der Waals ferromagnet

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Spectroscopy

Background:

  • Chromium triiodide (CrI3) is a van der Waals ferromagnet with a low Curie temperature (61 K).
  • Understanding its optical properties is crucial for exploring its magnetic and vibrational behaviors.
  • Spin-phonon coupling and lattice anharmonicity are key factors influencing material properties.

Purpose of the Study:

  • To investigate the temperature-dependent far-infrared optical properties of CrI3 single crystals.
  • To identify and characterize various excitations beyond standard phonon modes.
  • To elucidate the role of spin-phonon coupling and lattice anharmonicity in CrI3's optical response.

Main Methods:

  • Far-infrared optical spectroscopy (reflectance and transmittance measurements).
  • Temperature-dependent measurements were performed on CrI3 single crystals.
  • Analysis of spectral features in relation to crystalline symmetry, temperature, and magnetic properties.

Main Results:

  • Observed numerous excitations in the optical spectra of CrI3, in addition to expected phonon modes.
  • Spectra showed significant temperature dependence, particularly below the Curie temperature (61 K).
  • Evidence of strong lattice anharmonicity and significant spin-phonon coupling was found.

Conclusions:

  • The complex vibrational spectrum of CrI3 arises from the interplay of lattice anharmonicity and spin-phonon coupling.
  • These entangled interactions significantly influence the optical properties of this van der Waals ferromagnet.
  • The study highlights CrI3 as a platform for investigating coupled degrees of freedom in magnetic materials.