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Chemisorption of 1,1-dichloroethene on the Si(1 1 1)-7 × 7 surface
Authors:TH Andersen  I-H Svenum  A Borg  LJ Sæthre
Institution:a Department of Physics, Norwegian University of Science and Technology, Høgskoleringen 5, NO-7491 Trondheim, Norway
b Department of Chemistry, University of Bergen, Allégaten 41, NO-5007 Bergen, Norway
Abstract:Chemisorption of 1,1-dichloroethene (Cl2Cdouble bond; length as m-dashCH2) to a Si(1 1 1)-7 × 7 surface was studied by means of X-ray photoelectron spectroscopy using synchrotron radiation, recording chlorine 2p and carbon 1s spectra. For carbon 1s, spectral assignment of the chemisorbed species is based on quantum chemical calculations of chemical shifts in model compounds.The results confirm the identity of covalently bonded 1-chlorovinyl (-CCldouble bond; length as m-dashCH2) and vinylidene (2 bonds on the lefthand sideCdouble bond; length as m-dashCH2) adspecies. Upon chemisorption at room temperature it was found that about one-third of the molecules break one C-Cl bond while about two-thirds of the adsorbates break two C-Cl bonds. We do not, however, find evidence for isomerization of 2 bonds on the lefthand sideCdouble bond; length as m-dashCH2 to di-bonded vinylene (-CHdouble bond; length as m-dashCH-).
Keywords:Synchrotron radiation photoelectron spectroscopy  Si(1     1)-7   ×     7  1  1-Dichloroethene  Vinylene  Dechlorination  Chemisorption  Density functional calculations
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