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Related Concept Videos

Colors and Magnetism03:02

Colors and Magnetism

Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

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, resulting in...
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

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 annulenes. In...
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Diamagnetism01:26

Diamagnetism

Materials consisting of paired electrons have zero net magnetic moments. However, when these materials are placed under an external magnetic field, the moments opposite to the field are induced. Such materials are called diamagnets. Diamagnetism is the response of the diamagnets when placed in an external magnetic field.
Diamagnetism was discovered by Anton Brugmans in 1778 when he observed that bismuth gets repelled by magnetic fields, thus theorizing that diamagnets get repelled by magnets.
Periodic Classification of the Elements04:00

Periodic Classification of the Elements

The periodic table arranges atoms based on increasing atomic number so that elements with the same chemical properties recur periodically. When their electron configurations are added to the table, a periodic recurrence of similar electron configurations in the outer shells of these elements is observed. Because they are in the outer shells of an atom, valence electrons play the most important role in chemical reactions. The outer electrons have the highest energy of the electrons in an atom...

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Related Experiment Video

Updated: May 17, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
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p-electron magnetism in CdS doped with main group elements.

P O Bedolla1, C Gruber, P Mohn

  • 1Center for Computational Materials Science, Vienna University of Technology, Vienna, Austria. pb@cms.tuwien.ac.at

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|November 1, 2012
PubMed
Summary

Main group impurities in cadmium sulfide (CdS) lattices exhibit magnetic properties. These magnetic semiconductors show potential for tunable spin injection applications.

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Chemical Vapor Deposition of an Organic Magnet, Vanadium Tetracyanoethylene
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Chemical Vapor Deposition of an Organic Magnet, Vanadium Tetracyanoethylene
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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Cadmium sulfide (CdS) is a semiconductor with potential applications in electronics and optoelectronics.
  • Understanding impurity behavior is crucial for tailoring material properties.

Purpose of the Study:

  • Investigate the behavior of main group element impurities in wurtzite (w) and zincblende (zb) CdS lattices.
  • Explore the magnetic properties and potential applications of impurity-doped CdS.

Main Methods:

  • Ab initio supercell calculations using density functional theory (DFT).
  • Post-density functional theory (DFT) methods were employed for enhanced accuracy.
  • Analysis of impurity site preference and magnetic ordering.

Main Results:

  • Main group impurities (B, C, N, Al, Si, P, Ga, Ge) preferentially occupy the sulfur site in CdS lattices.
  • Most impurities exhibit magnetic order, with behavior dependent on concentration.
  • Half-metallic behavior observed at low impurity concentrations in specific supercells.
  • Unsaturated magnetic moments detected in smaller supercells for both zb- and w-CdS.

Conclusions:

  • Impurity-doped CdS demonstrates tunable magnetic properties.
  • The field dependence of magnetic moments suggests applications in spin injection technologies.
  • These findings open avenues for novel magnetic semiconductor devices.