Login / Signup

Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity.

S PelloniPaolo Lazzeretti
Published in: Physical chemistry chemical physics : PCCP (2019)
The vorticity vector of the current density JB, induced in the electron cloud of a molecule by a magnetic field B, is defined by VB = ∇×JB. The vorticity tensor is the nonsymmetric second-rank tensor obtained by differentiating the vorticity vector with respect to the components of B, i.e., . It is shown that isosurfaces of its anisotropy can be used as magnetotropicity indicators to detect electron delocalization effects and estimate the degree of aromaticity of cyclic molecules on the magnetic criterion.
Keyphrases
  • molecularly imprinted
  • high glucose
  • diabetic rats
  • solar cells
  • computed tomography
  • magnetic resonance imaging
  • mass spectrometry
  • magnetic resonance