IUVSTA 15th International Vacuum Congress (IVC-15), AVS 48th International Symposium (AVS-48), 11th International Conference on Solid Surfaces (ICSS-11)
    Surface Science Wednesday Sessions
       Session SS2-WeA

Paper SS2-WeA1
Chemical Bonding of Alkanes on Metal Surfaces: Adsorption of n-octane on Cu(110)

Wednesday, October 31, 2001, 2:00 pm, Room 121

Session: Adsorption on Metal Surfaces
Presenter: L. Triguero, Uppsala University, Sweden
Authors: L. Triguero, Uppsala University, Sweden
K. Weiss, Uppsala University, Sweden
H. Öström, Uppsala University, Sweden
D. Nordlund, Uppsala University, Sweden
H. Ogasawara, Uppsala University, Sweden
L.G.M. Pettersson, Stockholm University, Sweden
A. Nilsson, Uppsala University; Sweden and Stanford University
Correspondent: Click to Email
Using Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy and X-ray emission spectroscopy (XES), we have investigated the electronic structure and chemical bonding of n-octane adsorbed on Cu(110). The high degree of NEXAFS dichroism reveals that the molecule is well oriented on the surface. The NEXAFS spectra also reveal large changes in the unoccupied electronic structure of the adsorbed octane relative to the free molecule. XES, which shows the occupied density of states, reveals new states showing up near the Fermi level. In order to understand these changes in the electronic structure, we have performed cluster model calculations in the framework of Density Functional Theory. The calculations indicate significant charge transfer and formation of a chemical bond between the molecule and the substrate. Our study also gives new experimental evidence of chemical interaction and insights into the bonding mechanism of saturated hydrocarbons adsorbed on metal surfaces, which is of importance for the understanding of the C-H bond activation mechanism.