Magnetic susceptibility and aromaticity in the excited states of benzene

Abstract

A numerical method for obtaining the change in energy due to a magnetic field of given strength is applied to calculations of π-electronic delocalisation susceptibilities of the low-lying excited states of benzene. It is found that the delocalisation susceptibilities of the excited states of benzene are quite different from those of the ground state. On the basis of the calculated results, the aromaticity of the excited states of benzene is discussed.