Orbital rehybridization in n-octane adsorbed on Cu(110)
2003 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 118, no 8, 3782-3789 p.Article in journal (Refereed) Published
We have investigated the local electronic structure of n-octane adsorbed on the Cu(110) surface using symmetry-resolved x-ray absorption spectroscopy (XAS) and x-ray emission spectroscopy (XES) in combination with density functional theory (DFT) spectrum calculations. We found new adsorption-induced states in the XE spectra, which we assign to interaction between the bonding CH orbitals and the metal surface. By performing a systematic investigation of the influence of different structural parameters on the XA and XE spectra, we conclude that the molecular geometry is significantly distorted relative to the gas-phase structure. The bonding to the surface leads to a strengthening of the carbon–carbon bonds and a weakening of the carbon–hydrogen bonds, consistent with a rehybridization of the carbons from sp3 to sp2.8. ©2003 American Institute of Physics.
Place, publisher, year, edition, pages
American Institute of Physics , 2003. Vol. 118, no 8, 3782-3789 p.
Research subject Physics
IdentifiersURN: urn:nbn:se:su:diva-23161DOI: DOI: 10.1063/1.1539866#OAI: oai:DiVA.org:su-23161DiVA: diva2:190457
Part of urn:nbn:se:su:diva-1712004-05-132004-05-132009-12-22Bibliographically approved