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Related Concept Videos

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

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In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as...
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π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

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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,...
1.9K
NMR Spectroscopy of Benzene Derivatives01:37

NMR Spectroscopy of Benzene Derivatives

12.3K
Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
12.3K
Ferromagnetism01:31

Ferromagnetism

3.6K
Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
3.6K
Structure of Benzene: Kekulé Model01:07

Structure of Benzene: Kekulé Model

13.2K
In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
13.2K
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

13.9K
According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
13.9K

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Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
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Spin Polarization Inversion at Benzene-Absorbed Fe4N Surface.

Qian Zhang1, Wenbo Mi1, Xiaocha Wang2

  • 1Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, China.

Scientific Reports
|May 28, 2015
PubMed
Summary

We studied the electronic structure of benzene on iron nitride (Fe4N) to understand spintronic applications. Findings reveal varied spin polarization on benzene, including inversion due to orbital hybridization.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Surface Science

Background:

  • Iron nitride (Fe4N) is a promising compound ferromagnet for spintronic devices.
  • Understanding interface electronic properties is crucial for spintronic applications.

Purpose of the Study:

  • Investigate the electronic structure of a benzene/Fe4N interface.
  • Simulate spin-polarized scanning tunneling microscopy (SP-STM) graphics.
  • Analyze spin polarization behavior on the benzene surface.

Main Methods:

  • First-principle calculations.
  • Density Functional Theory (DFT) based simulations.
  • SP-STM image simulation.

Main Results:

  • Observed diverse spin polarization properties on the benzene surface.
  • Identified cosine-type oscillation and polarization inversion.
  • Attributed spin-polarization inversion to hybridization between carbon pz orbitals and Fe d orbitals.

Conclusions:

  • The benzene/Fe4N interface exhibits tunable spin polarization.
  • Orbital hybridization plays a key role in spin polarization phenomena.
  • Results provide insights for designing spintronic devices.