Complex Formation of Ag+ and Li+ with Host Molecules Modeled on Intercalation of Graphite

Pi-stacked and box-shaped host molecules with xanthene as the basis and pyrene as the π-plane were synthesized to verify cation-π interactions between graphene and metal cations. Since crystal structure analysis was not available, DFT calculations were performed to determine the optimized structure, and the π-planes were found to have a slipped parallel structure, with average distances of 456.2-581.0 pm for the stacked compound and 463.4-471.4 pm for the box-shaped compound. Li