Abstract
The carbon K-shell near edge X-ray absorption fine structure (NEXAFS) spectra of gas-phase ethylene molecules and ethylene adsorbed on Ag(100) have been calculated by the multiple scattering cluster method (MSC) for the first time. The calculated results show that carbon-hydrogen scattering resonances exist in the carbon K-shell NEXAFS spectra for both gas-phase ethylene molecules and ethylene adsorbed on the metal surface. By a comparison between the theoretical results and experimental spectra, we have found that ethylene molecules are adsorbed on the Ag(100) surface taking a four-fold hollow-site with the direction of the CC bond parallel to the [001] or [010] direction, the bond lengths of CC and AgC are equal to 1.40±0.02 and 1.96±0.03 A ̊ , respectively. These results can be compared with that of the C 2H 4Cu(100) system.
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