Magnetic Circular Dichroism of Benzene, Triphenylene, and Coronene

Publisher Website
Google Scholar
Abstract
The magnetic circular dichroism of benzene, triphenylene, and coronene in regions of π→π absorption (20 000‐45 000 cm−1) are reported. The data support the conventional molecular‐orbital assignments of the absorption spectra. The lowest 1 E′ and 1 E 1u states of triphenylene and coronene, respectively, are shown to be little affected by Jahn‐Teller perturbations. Magnetic moments are obtained for these states which are in good agreement with values calculated from the free‐electron network model and from molecular‐orbital wavefunctions if Löwdin orthogonalized atomic basis functions are employed.