Neutron scattering study of the structure and dynamics of butane adsorbed on graphite2

Inelastic and elastic neutron scattering have been used to study the dynamics and structure of monolayer films of butane (CH₃(CH₂)₂CH₃) adsorbed on a graphitized carbon powder at 77 K. In addition to the intramolecular torsional modes found in the bulk solid, the inelastic spectra of the films contain new excitations associated with coupling of the molecular motion to the substrate. Model calculations are described which show the monolayer excitation spectrum to be sensitive to the orientation of the adsorbed butane molecule and the location and strength of the bonds to the substrate. For butane we infer that the molecule is adsorbed with the plane of the carbon skeleton parallel to the graphite layers. We have also used elastic neutron diffraction to investigate the possibility of long-range order in the butane films. Although we have not found Bragg peaks indicative of an ordered two-dimensional structure in a 1.5 layer film at 81 K, a large modulation of the graphite 002 Bragg reflection is observed. The experimental approach discussed here would seem to be applicable to the study of the dynamics, molecular orientation, and bonding of other hydrogenous adsorbates as a function of film thickness and temperature. Measurements are presently being extended to propane (CH₃CH₂CH₃) and ethane (CH₃CH₃) adsorbed on graphite.