A molecular modelling study of the (0001) surface of benzil reveals evidence for surface reconstruction associated with a change in molecular conformation effected via a relaxation of p-p intermolecular interactions which are strong in the solid-state but absent on the exposed surface. This is confirmed by an examination of a single crystal sample using ultra-soft polarised X-ray absorption spectroscopy at the C K-edge.
|Number of pages
|Journal of the Chemical Society, Perkin Transactions 2
|Published - Oct 1996