Dissociation of Endohedrally Encapsulated HCl/HBr in C60 and C70: An Electric Field Perspective

The ability of an acid to undergo dissociation depends primarily on the nature of the solvent and especially the arrangement of the solvent molecules around the protic group. This process of acid dissociation can be promoted by confining the solute–solvent system to nanocavities. Endohedral confinement of HCl/HBr complexed with a single ammonia or a water dimer within the C60/C70 cage results in the dissociation of mineral acid. Such confinement bolsters the electric field along the H–X bond and consequently lowers the minimum number of solvent molecules required in the gas phase for the acid dissociation.