Magnetic circular dichroism spectroscopy and electronic structures of C3 symmetry buckybowls

► TD-DFT and ZINDO/s calculations of C3v and C3 symmetry buckybowls are reported. ► Magnetic circular dichroism spectroscopy was used to validate the theoretical descriptions. ► Michl's perimeter model was used as a conceptual framework to analyze the results. ► Faraday B0 terms and A1 term were found corresponding to the L and B transitions, respectively.