| Abstract
| - The covalent binding of acrylonitrile (CH2CHC⋮N) and the formation of a CCCN structureon Si(100) have been investigated using high-resolution electron energy loss spectroscopy (HREELS), X-rayphotoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and density functional theory(DFT) calculations. For chemisorbed acrylonitrile, the absence of ν(C⋮N) at 2245 cm-1 and the appearanceof ν(CN) at 1669 cm-1 demonstrate that the cyano group directly participates in the interaction with Si(100),which is further supported by XPS and UPS observations. Our experimental results and DFT calculationsunambiguously demonstrate a [2 + 2] cycloaddition mechanism for acrylonitrile chemisorption on Si(100)through the binding of C⋮N to Si dimers. The resulting chemisorbed monolayer with a CCCN skeletoncan serve as a precursor for further chemical syntheses of multilayer organic thin films in a vacuum andsurface functionalization for in situ device fabrication.
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