Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up

Daniil A Fedotov1, Mikael Scott2, Maximilian Scheurer2

  • 1DTU Chemistry, Technical University of Denmark, Kemitorvet, Building 207, DK-2800 Kongens Lyngby, Denmark.

Related Concept Videos

Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so...
4.6K
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.3K
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,...
1.1K
Divergence and Curl of Magnetic Field01:26

Divergence and Curl of Magnetic Field

The magnetic field due to a volume current distribution given by the Biot–Savart Law can be expressed as follows:
3.1K
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...
341
The Hall Effect01:30

The Hall Effect

Edwin H. Hall, in the year 1879, devised an experiment that could be used to identify the polarity of the predominant charge carriers in a conducting material. From a historical perspective, this experiment was the first to demonstrate that the charge carriers in most metals are negative.
2.6K