INTERPRETATION OF COMPLICATED NEXAFS SPECTRA BY COMPARISON WITH X-ALPHA-SW CALCULATIONS

The complicated NEXAFS spectra of N2O/Ni(111) and of (1,8) naphthalene dicarboxylic anhydride (NDCA) are interpreted utilizing X alpha Scatte red-Wave calculations. In the former case the unusual polarization dep endence of the pi-resonances at the nitrogen and oxygen K-edge, respe ctively, is explained by a slight bending (15 degrees) of the nitrous oxide molecules upon adsorption on Ni(111). In the latter case the ori gin of the numerous resonances observed is elucidated beyond the inter pretation in terms of a simple building block model.