Abstract
Adsorption of simple organic molecules on wide band gap insulators is a versatile tool to introduce unoccupied electronic states in the band gap at the surface. Relative energetic positions, varied also by intra-molecular interactions of functional side groups, determine the effective band gap. Specific examples used here are adsorbed molecules of benzoic acid and of its OH-substituted derivates (salicylic acid, etc.) on NaCl, KCl and on MgSO 4 · H 2O. These acids are mainly physisorbed on NaCl and KCl, whereas on MgSO 4 · H 2O chemical bond formation is found. Ab initio and semi-empirical calculations are used in order to identify mechanisms of surface-molecule as well as intra-molecular interactions.
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