A combined inelastic neutron scattering and simulation study of the 3He@C60 endofullerene

Abstract

The ³He@C₆₀ endofullerene consists of a single ³He atom entrapped inside a C₆₀ fullerene cage. The confining potential, arising from the non-covalent interaction between the enclosed He atom and the C atoms of the cage, is investigated by inelastic neutron scattering. These measurements allow us to obtain information in both energy (ω) and momentum (Q) transfers in the form of the dynamical structure factor S (Q, ω). Simulations of the S (Q, ω) maps are performed for a spherical anharmonic oscillator model. Good agreement between the experimental and simulated data sets is achieved.