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Related Concept Videos

Magnetic Fields01:27

Magnetic Fields

A moving charge or a current creates a magnetic field in the surrounding space, in addition to its electric field. The magnetic field exerts a force on any other moving charge or current that is present in the field. Like an electric field, the magnetic field is also a vector field. At any position, the direction of the magnetic field is defined as the direction in which the north pole of a compass needle points.
A magnetic field is defined by the force that a charged particle experiences...
Ampere's Law in Matter01:22

Ampere's Law in Matter

The total current density in magnetized material is the sum of the free and bound current densities. The free current arises due to the motion of free electrons within the material, while the bound current arises due to the alignment of magnetic dipole moments.
The differential form of Ampere's law in vacuum states that the curl of the magnetic field equals the permeability times the current density. In a magnetized material, the law is modified to incorporate the free and bound current...
Magnetic Moment of an Electron01:23

Magnetic Moment of an Electron

Electrons revolving around a nucleus are analogous to a circular current carrying loop. This current produces a magnetic dipole moment proportional to the electron's orbital angular momentum. Since the orbital angular momentum is quantized in terms of the reduced Planck's constant, the dipole moment is quantized in the Bohr Magneton. The value of the Bohr magneton is 9.27 x 10-24 Am2. Electrons also have an intrinsic spin angular momentum, and the associated spin magnetic moment is...
Potential Due to a Magnetized Object01:24

Potential Due to a Magnetized Object

Magnetic dipoles in magnetic materials are aligned when placed under an external magnetic field. For paramagnets and ferromagnets, dipole alignment occurs in the direction of the magnetic field. However, the dipoles align opposite to the field in the case of diamagnets. This state of magnetic polarization due to the external field is called magnetization. Magnetization is defined as the dipole moment per unit volume. It plays a similar role to polarization in electrostatics.
The vector...
Maxwell's Equation Of Electromagnetism01:29

Maxwell's Equation Of Electromagnetism

James Clerk Maxwell (1831–1879) was one of the major contributors to physics in the nineteenth century. Although he died young, he made major contributions to the development of the kinetic theory of gases, to the understanding of color vision, and to understanding the nature of Saturn's rings. He is probably best known for having combined existing knowledge on the laws of electricity and magnetism with his insights into a complete overarching electromagnetic theory, which is represented by...
Magnetic Force On A Current-Carrying Conductor01:25

Magnetic Force On A Current-Carrying Conductor

Moving charges experience a force in a magnetic field. Since the magnetic fields produced by moving charges are proportional to the current, a conductor carrying a current creates a magnetic field around it.
Consider a compass placed near a current-carrying wire. The wire experiences a force that aligns the needle of the compass tangentially around the wire. Thus, the current-carrying wire produces concentric circular loops of magnetic field. The magnetic field generated by a wire can be...

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Related Experiment Video

Updated: May 27, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

4-Component relativistic magnetically induced current density using London atomic orbitals.

David Sulzer1, Małgorzata Olejniczak, Radovan Bast

  • 1Laboratoire de Chimie Quantique, Institut de Chimie (UMR 7177), CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France.

Physical Chemistry Chemical Physics : PCCP
|November 15, 2011
PubMed
Summary
This summary is machine-generated.

This study introduces a new computational method to assess molecular aromaticity using magnetically induced current density. The findings confirm aromaticity in a series of molecules, offering a gauge-origin-independent analysis.

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Last Updated: May 27, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

Spectral and Angle-Resolved Magneto-Optical Characterization of Photonic Nanostructures
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Spectral and Angle-Resolved Magneto-Optical Characterization of Photonic Nanostructures

Published on: November 21, 2019

Area of Science:

  • Quantum Chemistry
  • Computational Chemistry
  • Theoretical Chemistry

Background:

  • Aromaticity is a key concept in chemistry, crucial for understanding molecular stability and reactivity.
  • Quantifying aromaticity often relies on electronic current density calculations, but these can be sensitive to computational choices.
  • Relativistic effects are important for heavier elements and can influence electronic properties.

Purpose of the Study:

  • To implement and apply a 4-component relativistic method for calculating magnetically induced current density (MICD).
  • To develop a gauge-origin-independent approach for analyzing aromaticity based on ring currents.
  • To investigate the aromaticity of a series of C5H5E molecules (E = CH, N, P, As, Sb, Bi) using the new methodology.

Main Methods:

  • Utilized London atomic orbitals within a self-consistent field (SCF) framework.
  • Employed a magnetically balanced basis set by combining restricted and unrestricted kinetic balance complements.
  • Calculated 4-component relativistic MICD and its divergence at the Kohn-Sham level.

Main Results:

  • The implemented method provides gauge-origin-independent analysis of aromaticity.
  • Magnetically induced current density was calculated for C5H5E molecules.
  • Current strength decreased monotonically across the series, yet all molecules were found to be aromatic.

Conclusions:

  • The new relativistic computational methodology reliably assesses aromaticity across the periodic table.
  • All studied C5H5E molecules exhibit aromatic character based on the ring current criterion.
  • The approach offers a robust tool for future investigations of aromaticity in diverse chemical systems.