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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Substrate dependent structure of adsorbed aryl isocyanides studied by sum frequency generation (SFG) spectroscopy
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Substrate dependent structure of adsorbed aryl isocyanides studied by sum frequency generation (SFG) spectroscopy

机译：通过频率产生（SFG）光谱研究的吸附芳基异氰酸酯的底物依赖性结构

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摘要

Effects of metal substrate on the bonding nature of isocyanide group of two aryl isocyanides, 1,4-phenylene diisocyanide (PDI) and 4-methylphenyl isocyanide (MPI), and tilt angle of MPI were examined by measuring sum frequency generation (SFG) spectra of the self-assembled monolayers (SAMs) of these molecules on Au, Pt, Ag, and Pd surfaces. The SFG peaks due to "metal bonded" and "free" -NC groups were resolved by comparing the SFG spectra of PDI with IR spectra obtained by DFT calculations and previous results of vibrational spectroscopy. Based on the peak positions of the "metal bonded" -NC, it is clarified that while PDI and MPI were adsorbed at top sites on Au, Ag, and Pt surfaces, they adsorbed at bridge sites on the Pd surface. The tilt angles of MPI were determined from the intensity ratio between the SFG peaks of C-H symmetric and asymmetric stretching vibrational modes of the CH3 group. The tilt angles of the MPI SAMs were in the order of Pt < Pd < Ag < Au, reflecting the bonding nature between the -NC group and the substrate atoms.
机译：金属基材对两种芳基异氰酸酯，1,4-亚苯基二异硅氧烷（PDI）和4-甲基苯基异氰酸酯（MPI）的粘接性质的影响，并通过测量和频率产生（SFG）光谱检查MPI的倾斜角度在Au，pt，Ag和Pd表面上的这些分子的自组装单层（SAMS）。通过将PDI的SFG光谱与通过DFT计算获得的IR光谱和振动光谱的先前结果进行比较，通过将PDI的SFG光谱和振动光谱结果进行比较来解决由于“金属键合”和“自由”-NC组引起的SFG峰。基于“金属键合”-NC的峰值位置，澄清，虽然PDI和MPI在Au，Ag和Pt表面上的顶部位点吸收，但它们吸附在Pd表面上的桥接点。从C-H对称和不对称拉伸振动模式的SFG峰之间的强度比确定MPI的倾斜角度。 MPI SAM的倾斜角度按Pt

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    Mikio Ito; Hidenori Noguchi; Katsuyoshi Ikeda;

  • 作者单位

    Physical Chemistry Laboratory Division of Chemistry Graduate School of Science Hokkaido University Sapporo 060-0810 Japan;

    Physical Chemistry Laboratory Division of Chemistry Graduate School of Science Hokkaido University Sapporo 060-0810 Japan;

    Physical Chemistry Laboratory Division of Chemistry Graduate School of Science Hokkaido University Sapporo 060-0810 Japan;

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  • 正文语种 eng
  • 中图分类 物理学;
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