The Experts below are selected from a list of 1575 Experts worldwide ranked by ideXlab platform

Philippe Michaud - One of the best experts on this subject based on the ideXlab platform.

Nathalie Sinteszydowicz - One of the best experts on this subject based on the ideXlab platform.

Stacey F. Bent - One of the best experts on this subject based on the ideXlab platform.

  • formation of stable nitrene surface species by the reaction of adsorbed Phenyl Isocyanate at the ge 100 2 1 surface
    Langmuir, 2013
    Co-Authors: Keith T. Wong, Jukka T Tanskanen, Stacey F. Bent
    Abstract:

    The reaction of Phenyl Isocyanate (PIC) following adsorption at the Ge(100)-2 × 1 surface has been investigated both experimentally and theoretically by Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy, temperature-programmed desorption, quantum chemical calculations, and molecular dynamics simulations. PIC initially adsorbs by [2 + 2] cycloaddition across the C═N bond of the Isocyanate, as previously reported, but this initial product converts to a second product on the time scale of minutes at room temperature. The experimental and theoretical results show that the second product formed is Phenylnitrene (C6H5N) covalently bonded to the germanium surface via a single Ge–N bond. This conclusion is further supported by FTIR spectroscopy experiments and density functional theory calculations using Phenyl Isocyanate-15N and Phenyl-d5 Isocyanate.

  • reaction of Phenyl Isocyanate and Phenyl isothiocyanate with the ge 100 2 1 surface
    Journal of Physical Chemistry C, 2010
    Co-Authors: Paul W Loscutoff, Keith T. Wong, Stacey F. Bent
    Abstract:

    The adsorption of Phenyl Isocyanate and Phenyl isothiocyanate at the Ge(100)-2 × 1 surface was probed using multiple internal reflection Fourier transform infrared (FTIR) spectroscopy, density functional theory (DFT), and X-ray photoelectron spectroscopy (XPS). Results for Phenyl Isocyanate indicate that the saturation product is a [2 + 2] cycloaddition reaction product across the C═N bond, forming a surface-bound carbonyl. DFT reveals that this is the most stable of the expected products, and its calculated vibrational spectrum agrees closely with experimental spectra. FTIR spectroscopy studies of Phenyl isothiocyanate reveal multiple surface adducts, with the product of the [2 + 2] cycloaddition reaction across the C═S bond as the major species and the product of the [2 + 2] cycloaddition reaction across the C═N bond as a minor product. In addition to these products, an excess of sulfur measured by XPS indicates the presence of a dissociative desorption product. The DFT calculated pathways and vibration...

Quang Tho Pham - One of the best experts on this subject based on the ideXlab platform.

Keith T. Wong - One of the best experts on this subject based on the ideXlab platform.

  • formation of stable nitrene surface species by the reaction of adsorbed Phenyl Isocyanate at the ge 100 2 1 surface
    Langmuir, 2013
    Co-Authors: Keith T. Wong, Jukka T Tanskanen, Stacey F. Bent
    Abstract:

    The reaction of Phenyl Isocyanate (PIC) following adsorption at the Ge(100)-2 × 1 surface has been investigated both experimentally and theoretically by Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy, temperature-programmed desorption, quantum chemical calculations, and molecular dynamics simulations. PIC initially adsorbs by [2 + 2] cycloaddition across the C═N bond of the Isocyanate, as previously reported, but this initial product converts to a second product on the time scale of minutes at room temperature. The experimental and theoretical results show that the second product formed is Phenylnitrene (C6H5N) covalently bonded to the germanium surface via a single Ge–N bond. This conclusion is further supported by FTIR spectroscopy experiments and density functional theory calculations using Phenyl Isocyanate-15N and Phenyl-d5 Isocyanate.

  • reaction of Phenyl Isocyanate and Phenyl isothiocyanate with the ge 100 2 1 surface
    Journal of Physical Chemistry C, 2010
    Co-Authors: Paul W Loscutoff, Keith T. Wong, Stacey F. Bent
    Abstract:

    The adsorption of Phenyl Isocyanate and Phenyl isothiocyanate at the Ge(100)-2 × 1 surface was probed using multiple internal reflection Fourier transform infrared (FTIR) spectroscopy, density functional theory (DFT), and X-ray photoelectron spectroscopy (XPS). Results for Phenyl Isocyanate indicate that the saturation product is a [2 + 2] cycloaddition reaction product across the C═N bond, forming a surface-bound carbonyl. DFT reveals that this is the most stable of the expected products, and its calculated vibrational spectrum agrees closely with experimental spectra. FTIR spectroscopy studies of Phenyl isothiocyanate reveal multiple surface adducts, with the product of the [2 + 2] cycloaddition reaction across the C═S bond as the major species and the product of the [2 + 2] cycloaddition reaction across the C═N bond as a minor product. In addition to these products, an excess of sulfur measured by XPS indicates the presence of a dissociative desorption product. The DFT calculated pathways and vibration...