Abstract
The carbon K-edge NEXAFS (near edge X-ray absorption fine structure) spectra of propargyl alcohol (HCC-CH 2OH) and propargyloxy (HCC-CH 2O-), its alkoxy, adsorbed on Ag(110) have been calculated by the multiple-scattering cluster (MSC) method. It is found that the experimental spectrum is a mixture of the three individual carbon spectra of the molecule. A characterization of the features m the NEXAFS spectra has been performed. We find that the triple carbon-carbon bondlength in the adsorbed propargyloxy is equal to 1.20 Å, which is the same as that of propargyl alcohol in the gas phase. The orientation of the species has been determined by a polarization investigation.
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