Probing cluster structures with sensor molecules: methanol adsorbed onto gold clusters

Abstract Structural, dynamical and electronic properties of the adducts formed by adsorbing methanol onto size-selected gold clusters are investigated using infrared multiple-photon dissociation spectroscopy of trapped Au n + CH 3 OH, n ⩽15, in conjunction with Car–Parrinello calculations. The C–O stretching vibration of the attached sensor molecule changes discontinuously as a function of cluster size, which is traced back to a change in dimensionality of the cluster structure.