Concurrent non-covalent interactions in complexes involve graphene and curved graphenes

Computational quantum chemistry methods were used to investigate non-covalent interactions of F anion together with π-π stacking interactions of benzene on inner face and outer face of the central rings of graphene and some curved graphenes. Structural parameters and energy data of the ternary complexes were considered. Also, effects of charge transfer and aromaticity were estimated to determine how curvature of graphene influences on concurrent anionπ and π-π stacking interactions. Results show that weak interactions such as π-π stacking can impact on order of binding energies in complexes involve concurrent π-π stacking and interactions.