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• W1966296772 abstract "The adsorption configurations of N-methylpyrrole on $mathrm{Si}(111)ensuremath{-}7ifmmodetimeselsetexttimesfi{}7$ were investigated using high-resolution electron energy-loss spectroscopy, x-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and density function theory calculations. Compared to physisorbed N-methylpyrrole, chemisorbed molecules present a different vibrational feature at 2886 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$ attributable to $ensuremath{nu}[(mathrm{Si}){mathrm{C}}^{mathrm{sp}3}ensuremath{-}mathrm{H}]$ in addition to the vibrational features of ${(sp}^{2}){mathrm{C}}^{ensuremath{alpha}}ensuremath{-}mathrm{H}$ (3106 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$), ${(sp}^{2}){mathrm{C}}^{ensuremath{beta}}ensuremath{-}mathrm{H}$ (3050 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$), and $mathrm{C}---mathrm{H}$ of ${mathrm{CH}}_{3}$ (2944 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$) stretching modes, demonstrating the direct interaction between $mathrm{C}=mathrm{C}$ bonds and $mathrm{Si}(111)ensuremath{-}7ifmmodetimeselsetexttimesfi{}7.$ The major change of N $1s$ XPS spectrum of N-methylpyrrole upon chemisorption strongly suggests the coexistence of two chemisorption states, further confirmed in the strong dependence of STM image features on the sample bias together with statistical analysis. The concurrent occurrence of $[4+2]$ and $[2+2]$ cycloadditions is proposed to account for these two adsorption configurations of N-methylpyrrole on $mathrm{Si}(111)ensuremath{-}7ifmmodetimeselsetexttimesfi{}7.$" @default.
• W1966296772 created "2016-06-24" @default.
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• W1966296772 date "2003-06-06" @default.
• W1966296772 modified "2023-09-27" @default.
• W1966296772 title "Multiple configurations of<i>N</i>-methylpyrrole binding on<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi mathvariant=normal>Si</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mn>111</mml:mn><mml:mo>)</mml:mo><mml:mo>−</mml:mo><mml:mn>7</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>7</mml:mn></mml:math>" @default.
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• W1966296772 doi "https://doi.org/10.1103/physrevb.67.245406" @default.
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