Notably, dominant molecular orbitals characterizing the lowest energy intense transitions involve contributions of substituents (see Fig. and). We also note that no degenerate states were found for Ama + and Ada-CN + in contrast to Ada + . For Ada + , the lowest-energy excited states were pairwise degenerate (e.g. D 1 /D 2 and D 3 /D 4 ) , due to the higher symmetry.