The adsorption configuration of furan on Si(100)-2×1 at 125 K has been investigated using x-ray photoelectron spectroscopy(XPS), ultraviolet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), and semiempirical molecular orbital (MO) calculation. A chemisorbed furan species is identified, which does not desorb until 300 K. Our results clearly demonstrate the covalent attachment of furan onto Si(100), possibly through a [4+2] cycloaddition reaction. Based on the frontier molecular orbital (FMO) theory and work function measurements, an electron donation mechanism from furan to Si(100)-2×1 is proposed to be involved in the cycloaddition reaction.
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