Low energy adsorbate vibrations

低能量吸附振动

• 批准号: 0718055
• 负责人: Barbara Hinch
• 金额: $ 48.3万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-08-15 至 2011-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0718055&HistoricalAwards=false
• 关键词: Low; energy; adsorbate; vibrations

With the support of the Analytical and Surface Chemistry Program, Professor Hinch and her coworkers in the Department of Chemistry at Rutgers University are using high energy resolution time of flight analysis of thermal helium scattering to investigate low energy molecule surface vibrations. The interactions of isocyanate, methoxy, and aryl moieties with transition metal surfaces are the focus of this research. These systems provide a range of interaction energies, from weak dative bonding to strong covalent interactions. Information about the frustrated translational and rotational motions of these molecules on the surfaces provides an understanding of the multi-dimensional molecule-surface potential energy surface, and can be used in determining entropic terms for adsorption, energy dissipation mechanisms, transition state energetics, surface diffusion and reaction mechanisms.Professor Hinch and her coworkers at Rutgers University are using careful measurement of the velocity of back-scattered helium atoms to probe the low energy vibrational motions of molecules on transition metal surfaces. Focusing on isocyanate, methoxy, and aryl species on these surfaces to provide a range of molecule-surface interaction energies, this work provides fundamental information about the molecule-surface potential energy surface. This fundamental information is used to enable calculations of surface diffusion, transition state energetics, and surface mechanism and kinetics.

在分析和表面化学项目的支持下，Hinch教授和她在罗格斯大学化学系的同事们正在使用热氦散射的高能量分辨率飞行时间分析来研究低能分子的表面振动。异氰酸酯、甲氧基和芳基基团与过渡金属表面的相互作用是本研究的重点。这些体系提供了一系列的相互作用能量，从弱相合键到强共价相互作用。关于这些分子在表面上受挫的平移和旋转运动的信息提供了对多维分子-表面势能面的理解，并可用于确定吸附、能量耗散机制、过渡态能量学、表面扩散和反应机制的熵项。Hinch教授和她在罗格斯大学的同事们正在仔细测量反向散射氦原子的速度，以探测过渡金属表面分子的低能振动运动。重点研究这些表面上的异氰酸酯、甲氧基和芳基物质，以提供一系列分子-表面相互作用能，这项工作提供了关于分子-表面势能表面的基本信息。这些基本信息用于计算表面扩散、过渡态能量学、表面机理和动力学。