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Related Concept Videos

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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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: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.5K
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,...
1.5K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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1.6K
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...
1.6K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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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...
1.5K
Atomic Nuclei: Nuclear Spin01:08

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All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
Atomic nuclei have a net nuclear spin, , which can have an integer or half-integer value. In atomic nuclei, the spins of protons are paired against each other but not with neutrons, and vice versa. Consequently, an even number of protons does not contribute to...
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Tunable spin-state bistability in a spin crossover molecular complex.

Xuanyuan Jiang1, Guanhua Hao1, Xiao Wang2

  • 1Department of Physics and Astronomy, University of Nebraska, Lincoln, NE 68588, United States of America.

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|April 18, 2019
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This summary is machine-generated.

Spin crossover (SCO) transitions in iron(II) films exhibit thermal hysteresis, unlike bulk materials. Thinner films and the substrate interface significantly influence this SCO behavior, revealing domain coexistence and surface effects.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Nanotechnology

Background:

  • Spin crossover (SCO) is a phenomenon where certain transition metal complexes switch between low-spin and high-spin states.
  • SCO materials are promising for molecular switches and memory devices.
  • Understanding SCO transitions in thin films is crucial for device applications.

Purpose of the Study:

  • To investigate spin crossover (SCO) transitions in polycrystalline [Fe{H2B(pz)2}2(bipy)] films on Al2O3 substrates.
  • To compare SCO behavior in thin films with bulk materials.
  • To elucidate the role of the film surface and interface in SCO transitions.

Main Methods:

  • Magnetometry
  • X-ray absorption spectroscopy (XAS)
  • Temperature-dependent X-ray diffraction (XRD)

Main Results:

  • Polycrystalline [Fe{H2B(pz)2}2(bipy)] films exhibit thermal hysteresis in SCO transitions, unlike the non-hysteretic bulk material.
  • Hysteresis is more pronounced in thinner films, indicating a significant interface effect with the Al2O3 substrate.
  • Temperature-dependent XRD confirmed bistability of spin states, with crystallites acting as coexisting spin-state domains.

Conclusions:

  • The [Fe{H2B(pz)2}2(bipy)]/Al2O3 interface plays a critical role in inducing SCO hysteresis in thin films.
  • Cooperative intermolecular effects and coordination influence SCO transition perturbations.
  • The findings suggest potential for tuning SCO properties in thin films for advanced applications.