Interaction Potentials of Simple Nonpolar Molecules with Graphite

Abstract

The interaction and zero‐point energies of Ne, A, Kr, Xe, and CH₄ molecules near a semi‐infinite graphite lattice at the potential minimum have been calculated using lattice sums of a (6–12) potential with empirically determined potential constants and have been compared with recent experimental data. The significance of the results with respect to the possible role of charge‐transfer no‐bond mechanism for these systems is briefly discussed and it is concluded that dispersion forces alone are sufficient to account for the interaction energy.