Ionization potentials of large van der Waals molecules

In this paper we provide an extension of the electrostatic model for the structure and energetics of large van der Waals ions consisting of an aromatic cation bound to rare-gas atoms. We consider the effects of intermolecular electronic overlap on the charge-induced dipole interactions. Model calculations for tetracene⋅R+n (n=1–3 and R=Ar, Kr) and for benzene⋅R+ provide a reasonable account for the ionization potentials of these vdW ions.