Abstract
SEXAFS measurements above the Cl K-edge reveal that the Cu-Cl distance is the Cu(111) (√3 × √3)R30°-Cl structure is 2.39 ± 0.02 Å, with adsorption in three-fold symmetric hollow sites. These measurements are not, however, able to distinguish the two inequivalent hollow sites on this surface, even with the aid of multi-shell simulations. Photoelectron diffraction data for the Cl1s state, taken at kinetic energies between 100 and 400 eV are interpreted with the aid of single scattering calculations and shown to resolve this question, demonstrating that the Cl atoms adopt the same sites as would be occupied by the next fcc metal atom layer.
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