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NMR Spectroscopy: Spin–Spin Coupling01:08

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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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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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Spin–Spin Coupling Constant: Overview01:08

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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.
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π Electron Effects on Chemical Shift: Overview01:27

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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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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.
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1.9K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

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1.7K
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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Electron-phonon coupling in engineered magnetic molecules.

Violeta Iancu1, Koen Schouteden2, Zhe Li2

  • 1Laboratory of Solid-State Physics and Magnetism, KU Leuven, BE-3001 Leuven, Belgium. Violeta.Iancu@eli-np.ro Chris.VanHaesendonck@fys.kuleuven.be and Extreme Light Infrastructure - Nuclear Physics/Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering, Bucharest-Magurele, RO-077125, Romania.

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Summary
This summary is machine-generated.

We investigated electron-phonon coupling in engineered porphyrin-based magnetic molecular layers. Findings reveal that spin-flip excitations and electron-phonon interactions govern their electronic and magnetic properties.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Porphyrin-based molecules offer tunable electronic and magnetic properties.
  • Understanding electron-phonon coupling is crucial for designing molecular spintronic devices.
  • In situ engineering allows for precise control over molecular layer characteristics.

Purpose of the Study:

  • To investigate the electron-phonon coupling in in situ engineered porphyrin-based magnetic molecular layers.
  • To elucidate the interplay between spin-flip excitations and electron-phonon interactions.
  • To correlate these interactions with the observed electronic and magnetic properties.

Main Methods:

  • High-resolution scanning tunneling microscopy (STM) at 4.5 K.
  • Scanning tunneling spectroscopy (STS) to probe electronic states.
  • In situ engineering techniques for creating molecular layers on surfaces.

Main Results:

  • Demonstrated significant electron-phonon coupling in the engineered molecular layers.
  • Identified many-body spin-flip excitations as a key factor.
  • Established a direct link between these interactions and the molecules' electronic and magnetic behavior.

Conclusions:

  • Electron-phonon interactions play a critical role in determining the properties of engineered molecular magnets.
  • The findings provide insights into the fundamental physics governing molecular magnetism.
  • This work paves the way for the rational design of novel molecular electronic and spintronic materials.