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Related Concept Videos

Electron Orbital Model01:18

Electron Orbital Model

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Orbitals are the areas outside of the atomic nucleus where electrons are most likely to reside. They are characterized by different energy levels, shapes, and three-dimensional orientations. The location of electrons is described most generally by a shell or principal energy level, then by a subshell within each shell, and finally, by individual orbitals found within the subshells.
The first shell is closest to the nucleus, and it has only one subshell with a single spherical orbital called the...
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Spin–Spin Coupling: One-Bond Coupling01:17

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

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

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

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

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

NMR Spectroscopy: Spin–Spin Coupling

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

Spin–Spin Coupling Constant: Overview

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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...
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Correlative Light- and Electron Microscopy Using Quantum Dot Nanoparticles
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Spin-Orbit Coupling and Electronic Correlations in Sr_{2}RuO_{4}.

Minjae Kim1,2, Jernej Mravlje3, Michel Ferrero1,2

  • 1Centre de Physique Théorique, École Polytechnique, CNRS, Université Paris-Saclay, 91128 Palaiseau, France.

Physical Review Letters
|April 26, 2018
PubMed
Summary

Spin-orbit coupling (SOC) doesn't alter electronic correlations in Sr_{2}RuO_{4}, supporting the Hund's metal model. However, SOC significantly modifies the electronic structure at specific points, introducing an energy-dependent quasiparticle spin-orbit coupling.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Mechanics

Background:

  • Sr_{2}Ru_{4} exhibits complex electronic properties due to strong spin-orbit coupling (SOC) and electronic correlations.
  • Understanding the interplay between these phenomena is crucial for predicting material behavior.

Purpose of the Study:

  • To investigate the combined effects of spin-orbit coupling and electronic correlations in Sr_{2}Ru_{4}.
  • To validate or refine existing models, such as the Hund's metal picture, for ruthenates.

Main Methods:

  • Dynamical mean-field theory (DMFT) was employed to model the electronic structure.
  • Calculations focused on the influence of SOC on correlation-induced effects.

Main Results:

  • Spin-orbit coupling was found to not renormalize correlation effects, consistent with the Hund's metal model.
  • SOC significantly alters the electronic structure at specific k-points, especially where degeneracies exist without SOC.
  • An energy-dependent quasiparticle spin-orbit coupling, λ^{*}(ω), was introduced to describe these findings.

Conclusions:

  • The Hund's metal picture remains valid for ruthenates even with substantial SOC.
  • The concept of energy-dependent quasiparticle spin-orbit coupling offers a new perspective applicable to correlated materials with significant SOC.