Related Experiment Video
Updated: Jul 7, 2026

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
Published on: September 18, 2016
Correlation of delocalization indices and current-density maps in polycyclic aromatic hydrocarbons
Stijn Fias1, Patrick W Fowler, Juan Luis Delgado
1Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Ghent, Belgium. Stijn.Fias@UGent.be
Abstract:
Using multicentre delocalization indices, the ring current maps of a large set of polycyclic aromatic hydrocarbons (PAH) are reconstructed and compared with ab initio computations of the same maps in the pseudo-pi version of the ipsocentric approach to magnetic response. The quality of the comparison indicates that both delocalization and ring current approaches capture the same information about the aromatic nature of the PAH. Aromaticity as a global property, requires knowledge of more than single circuits, but the present results suggest no need to introduce a "multidimensional character" for aromaticity.
Related Concept Videos
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous overlap of p...
IR Absorption Frequency: Delocalization
In IR spectroscopy,...
NMR Spectroscopy of Aromatic Compounds
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds
π Electron Effects on Chemical Shift: Overview
Polymers: Molecular Weight Distribution

