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Related Concept Videos

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,...
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Valence Bond Theory02:42

Valence Bond Theory

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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

1.2K
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...
1.2K
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
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
Conformations of Cyclohexane02:11

Conformations of Cyclohexane

13.2K
Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
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Updated: Sep 15, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Robust High-Spin State in One-Dimensional CrX2 (X = Cl, Br, I) at the Single-Chain Limit.

Yangjin Lee1,2,3,4,5, Linxuan Li6, Weihan Zhang7

  • 1Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States.

Journal of the American Chemical Society
|July 15, 2025
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Researchers synthesized and studied one-dimensional (1D) chromium dihalide (CrX₂) magnetic single chains inside carbon nanotubes. They precisely measured and controlled Cr spin states at the single-chain level, offering insights into low-dimensional magnetism.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Low-dimensional magnetic materials exhibit unique properties and applications.
  • Synthesizing one-dimensional (1D) magnetic materials is challenging.
  • Properties of 1D magnetic materials at the single-chain limit are underexplored.

Purpose of the Study:

  • To experimentally and theoretically investigate 1D CrX₂ magnetic single chains within carbon nanotubes.
  • To confirm the existence and structure of these single chains.
  • To analyze the magnetic properties, specifically the chromium (Cr) spin state, at the single-chain level.

Main Methods:

  • Atomic-resolution scanning transmission electron microscopy (STEM) for imaging and spectroscopy.
  • Electron energy loss spectroscopy (EELS) to determine the Cr spin state.
  • Density functional theory (DFT) calculations for structural, magnetic, and electronic properties.

Main Results:

  • Confirmed the formation of 1D CrX₂ (X= Cl, Br, I) single chains within carbon nanotubes.
  • EELS revealed a high-spin state for Cr atoms in the chains.
  • Demonstrated that Cr spin states can be controlled by local atomic bonding configurations (CrX₂ vs. CrX₃ phases).

Conclusions:

  • Achieved precise measurement and analysis of Cr spin states in 1D magnetic single chains.
  • Established a method for controlling magnetic spin states in low-dimensional materials.
  • DFT calculations support the stability and predicted properties of these 1D magnetic chains.