Electronic spectra of alternant hydrocarbon di-negative ions

Nonlinear Graphene Nanoplasmonics

“…1h corresponds to triphenylene, which exhibits a wide band gap ∼ 4 eV in its neutral form, but displays resonances in the visible at ∼ 2 eV when doped with one electron or hole. These types of resonances in charged PAHs have been experimentally investigated in the past, [58][59][60] but their relation to graphene plasmonics now allows us to trace their origin to that of plasmons in highly doped graphene. Remarkably, the simple nearest-neighbors hopping model predicts the correct behavior (emergence of visible resonances when ionized, and similar spectra for positive and negative doping) and approximate spectral position of these molecular plasmons, in agreement with more sophisticated quantum chemistry simulations.…”

Anionic Free Radicals

“…The transitions I do not occur in the generator. Otherwise, the treatments of the spectra of generators (34) and dinegative ions (13) are similar to the treatment of AFR spectra. Detailed comparison of the three types of spectra has been made for benzene, coronene, and triphenylene (50) and for some polyacenes (55, 57).…”