Collaborative Research: The Structure and Chemistry of Naturally Chiral Metal Surfaces

合作研究：天然手性金属表面的结构和化学

• 批准号: 0717951
• 负责人: Andrew Gellman
• 金额: --
• 依托单位: Carnegie-Mellon University
• 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: 2007-09-01 至 2010-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0717951&HistoricalAwards=false
• 关键词: Collaborative; Research; Structure; Chemistry; Naturally

This collaborative research project combines experimental studies carried out in the laboratory of Charles Sykes at Tufts University, experimental work from the laboratory of Andrew Gellman at Carnegie Mellon, and theoretical studies by David Scholl and coworkers, also at Carnegie Mellon. With the support of the Analytical and Surface Chemistry Program, this collaborative team is investigating the structure and reactivity of naturally chiral metal surfaces. Copper single crystals cut to expose chiral kink sites are the substrates being examined, and the adsorption and reaction of chiral and achiral small molecules on these surfaces are studied. A combination of scanning tunneling microscopy (STM), vibrational STM, photoemission of adsorbed Xe, thermal desorption spectroscopy, and density functional calculations are the tools used to examine these reactions. A fundamental understanding of structure and reactivity of chiral surfaces helps to develop enantioselective catalytic and separation processes, of considerable value in the pharmaceutical industry. A collaboration between surface science experimentalists and theoreticians at Tufts University and Carnegie Mellon University addresses the question of chiral reactivity of miscut copper surfaces. By cutting the surfaces to expose chiral kink sites, the detailed effects of structure on adsorption and reaction of chiral molecules can be examined. A suite of experimental and theoretical probes are brought to bear on this question, with the goal of providing fundamental understanding for the design of enantioselective reaction and separation processes.

这个合作研究项目结合了塔夫茨大学查尔斯·赛克斯实验室的实验研究，卡内基梅隆大学安德鲁·盖尔曼实验室的实验工作，以及卡内基梅隆大学大卫·肖尔和同事的理论研究。 在分析和表面化学计划的支持下，这个合作团队正在研究天然手性金属表面的结构和反应性。 以铜单晶为研究对象，研究了手性和非手性小分子在铜单晶表面的吸附和反应。 结合扫描隧道显微镜（STM），振动STM，光电子的吸附的碳，热脱附光谱，和密度泛函计算的工具，用于检查这些反应。 对手性表面的结构和反应性的基本理解有助于开发对映体选择性催化和分离过程，在制药工业中具有相当大的价值。塔夫茨大学和卡内基梅隆大学的表面科学实验学家和理论家之间的合作解决了错切铜表面的手性反应性问题。 通过切割表面以暴露手性扭结位点，可以检查结构对手性分子的吸附和反应的详细影响。 一套实验和理论的探索带来承担这个问题，与目标提供基本的理解，设计的对映体选择性反应和分离过程。