Qiao, Ming HuaTao, Franklin FengCao, Y.Li, Z. H.Dai, W. L.Deng, J. F.Xu, Guo Qin2015-11-202015-11-202001Qiao, M. H., F. Tao, Y. Cao, Z. H. Li, W. L. Dai, J. F. Deng, and G. Q. Xu. "Cycloaddition Reaction of Furan with Si(100)-2×1." The Journal of Chemical Physics J. Chem. Phys. 114.6 (2001): 2766. http://dx.doi.org/10.1063/1.1338477https://hdl.handle.net/1808/18960This is the published version. Copyright 2001 American Institute of PhysicsThe 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.X-ray photoelectron spectroscopyAdsorptionChemical reaction theoryChemical reactionDesorptionArticle10.1063/1.1338477openAccess