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The interactions between atoms and molecules may be described by a potentialenergy function of the nuclear coordinates. Non-bonded interactions aredominated by repulsive forces at short range and attractive dispersion forcesat long range. Experimental data on the detailed interaction potentials fornon-bonded interatomic and intermolecular forces is scarce. Here we useterahertz spectroscopy and inelastic neutron scattering to determine thepotential energy function for the non-bonded interaction between single Heatoms and encapsulating C60 fullerene cages, in the helium endofullerenes 3Heand 4He, synthesised by molecular surgery techniques. The experimentallyderived potential is compared to estimates from quantum chemistry calculations,and from sums of empirical two-body potentials.

Experimental Determination of the Interaction Potential between a Helium Atom and the Interior Surface of a C60 Fullerene Molecule