Superhelicenes in the gas phase: experimental and computational evidence of stable radical cation dimers

Chemical Communications 2023, 59, 5882–5885

Electrospray-ionization mass spectrometry (ESI-MS) readily produces stable radical cation π-dimers of the superhelicenes. Energy-resolved collision experiments reveal the dissociation of the dicationic dimer into two singly charged superhelicenes. DFT calculations indicate that open-shell dications composed of two radical cations are thermochemically more attractive than the closed-shell dimer formed by a doubly charged and a neutral superhelicene.