A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles.

Abstract

Why are some (4n+2)pi systems aromatic, and some not? The ipsocentric approach to the calculation of the current density induced in a molecule by an external magnetic field predicts a four-electron diatropic (aromatic) ring current for (4n+2)pi carbocycles and a two-electron paratropic (antiaromatic) current for (4n)pi carbocycles. With the inclusion of an… (More)

7 Figures and Tables

Cite this paper

@article{Soncini2005AUO, title={A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles.}, author={Alessandro Soncini and Carmen Domene and Jeroen J Engelberts and Patrick W. Fowler and A. Rassat and Joop H van Lenthe and Remco W. A. Havenith and Leonardus W. Jenneskens}, journal={Chemistry}, year={2005}, volume={11 4}, pages={1257-66} }