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Related Concept Videos

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: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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

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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...
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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...
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Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
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Controlling Spin-Orbit Coupling to Tailor Type-II Dirac Bands.

Nguyen Huu Lam1, Phuong Lien Nguyen2, Byoung Ki Choi3,4

  • 1Department of Physics, University of Ulsan, Ulsan 44610, Republic of Korea.

ACS Nano
|July 15, 2022
PubMed
Summary

Researchers tuned the topological properties of NiTe2 by substituting selenium for tellurium. This substitution altered spin-orbit coupling, shifting the bulk Dirac point and confirming tunability of type-II Dirac fermions.

Keywords:
NiTe2NiTe2−xSexangle-resolved photoelectron spectroscopydensity functional theoryscanning tunneling microscopy/scanning tunneling spectroscopyspin−orbit couplingtype-II Dirac band

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Topological Materials

Background:

  • Nickel telluride (NiTe2) is a type-II Dirac semimetal known for its unique topological properties.
  • Understanding and controlling these topological properties is crucial for potential applications.

Purpose of the Study:

  • To investigate the tunability of spin-orbit coupling (SOC) in NiTe2 through selenium (Se) substitution.
  • To explore the impact of SOC modification on the type-II Dirac band and bulk Dirac point (BDP).

Main Methods:

  • Density functional theory (DFT) calculations were employed to model the electronic structure.
  • Scanning tunneling spectroscopy (STS) and angle-resolved photoemission spectroscopy (ARPES) were used for experimental validation.

Main Results:

  • Selenium substitution effectively tunes the spin-orbit coupling strength in NiTe2.
  • The bulk Dirac point (BDP) shifts to negative energy values with increasing Se concentration, from +0.1 eV in NiTe2 to -0.3 eV in NiTeSe.
  • The type-II Dirac band structure is preserved throughout the substitution process.

Conclusions:

  • Chalcogen substitution provides a viable method to tailor the electronic properties of NiTe2 by controlling SOC.
  • This approach demonstrates effective tunability of type-II Dirac fermions, offering a pathway for designing novel topological materials.