silicon and methylacetylene

To achieve silicon functionalization for the development of hybrid devices, multifunctional molecules may be employed to attach to the silicon surfaces. It is important to get a fundamental understanding about the molecule/silicon interface chemistry and the binding configuration. The surface chemistry of 3-chloropropyne (HC≡C-CH(2)Cl) on the Si(111)-(7 × 7) surface, as a model system for understanding the interaction of the multifunctional molecules with a silicon surface, was studied by X-ray photoelectron spectroscopy (XPS), high-resolution electron energy loss spectroscopy (HREELS), and density functional theory (DFT). The 3-chloropropyne adsorbs molecularly on the silicon surface at 110 K. A chemical reaction clearly occurs such that 3-choloropropyne bonds onto the Si(111)-(7 × 7) surface at room temperature by forming C-Si linkage through the cleavage of C-Cl bond, and preserving the ethyne C≡C triple bond. This functionalized silicon surface may act as an intermediate for the growth of multiple organic layers by further attaching other functional molecules.

Topics: Adsorption; Alkynes; Models, Molecular; Molecular Conformation; Photochemical Processes; Silicon; Temperature

Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The title compounds were shown to exist in the nonequilibrium mixture of E and Z isomers with the energy difference of less than 0.3 kcal/mol calculated at the MP2/6-311G** level.

Topics: Alkynes; Carbon; Carbon Isotopes; Germanium; Isomerism; Magnetic Resonance Spectroscopy; Models, Molecular; Molecular Conformation; Nitrogen Isotopes; Oximes; Silicon