CAREER: Freeze-frame Spectroscopy, a technique for elucidation of fundamental interactions underlying nanocatalytic reactions

这个职业奖由化学系的化学催化计划支持教授大卫T。摩尔的利哈伊大学开发冻结框架光谱（FFS），一种实验方法，直接探测反应物分子与纳米催化剂的相互作用。 冷冻框架光谱学明确地设计用于稳定在低温基质中感兴趣的预反应复合物，使得它们可以使用振动光谱进行结构表征。 由这种矩阵隔离光谱技术提供的高分辨率允许检测与反应物分子和催化剂材料的相互作用相关的振动带中的特征位移。 FFS方法还探索了纳米催化反应途径。 共振激光泵浦用于将能量快速存款到稳定的预反应性复合物中，使得它们可以穿过活化屏障以形成反应性中间体或产物复合物，然后捕获和表征所述反应性中间体或产物复合物。 摩尔教授的研究重点是一氧化碳（CO）在金纳米颗粒上的氧化，以便更好地了解纳米颗粒尺寸和电荷的趋势如何与反应性的趋势相关联。 激光泵浦实验进行了自由电子激光设施（FELIX）在纽韦根，荷兰，为了验证预反应性质的检测到的配合物，并进一步表征的势能表面的催化反应途径。 与南山学院建立了新的合作伙伴关系，为非科学专业的学生提供沉浸式的科学研究学习体验。化学系化学催化项目的CAREER奖支持大卫T教授的工作。摩尔的利哈伊大学开发冻结框架光谱（FFS），一种实验方法，着眼于反应物分子和纳米尺寸的催化剂之间的相互作用。 催化剂用于提高化学反应的速度。 直接检测反应物-催化剂络合物是不可能的，因为好的催化剂不能很强或很长时间地结合反应物。 FFS通过使用非常低的温度来减缓催化反应，然后利用光来拍摄反应器-催化剂相互作用的“快照”，从而克服了这一障碍。 在荷兰进行的额外的激光研究验证了FFS实验。 摩尔教授的研究生前往纽韦根进行这些测量，并获得对国际文化的欣赏。 初步研究了金纳米颗粒上氧气（O2）对一氧化碳（CO）的催化氧化。 该反应在替代能源竞技场中具有相关性，因为CO是氢燃料电池中所用催化剂的强效毒物。 这项工作的更广泛的影响包括在文科课程中开发向人文和社会科学专业教授科学的新方法。 教师将与学生一起开发与学生感兴趣的主要领域相关的短期，重点突出的研究项目。 这些项目为本科生提供了对科学方法重要方面的洞察力。

This CAREER award by the Chemical Catalysis Program of the Chemistry Division supports the work of Professor David T. Moore of Lehigh University to develop freeze-frame spectroscopy (FFS), an experimental method to directly probe interactions of reactant molecules with nanocatalysts. Freeze-frame spectroscopy is explicitly designed to stabilize the pre-reactive complexes of interest in cryogenic matrices so that they may be structurally characterized using vibrational spectroscopy. The high-resolution afforded by this matrix-isolated spectroscopic technique allows detection of the characteristic shifts in vibrational bands associated with the interaction of the reactant molecules and the catalyst material. The FFS approach also explores nanocatalytic reaction pathways. Resonant laser pumping is used to rapidly deposit energy into the stabilized pre-reactive complexes so that they can cross activation barriers to form reactive intermediates or product complexes that are then trapped and characterized. Professor Moore's research focuses on carbon monoxide (CO) oxidation on gold nanoparticles in order to better understand how trends in nanoparticles size and charge correlate to trends in reactivity. Laser pumping experiments are carried out at the free-electron laser facility (FELIX) in Nieuwegein, Netherlands, in order to verify the pre-reactive nature of the detected complexes and to further characterize the potential energy surfaces of the catalytic reaction pathways. A new partnership with South Mountain College has been developed to provide immersive learning experiences in scientific research to non-science majors.This CAREER award by the Chemical Catalysis Program of the Chemistry Division supports the work of Professor David T. Moore of Lehigh University to develop freeze-frame spectroscopy (FFS), an experimental method which looks at interactions between reactant molecules and nanometer-sized catalysts. Catalysts are used to increase the speed of chemical reactions. Direct examinations of reactant-catalyst complexes are rarely possible because good catalysts do not bind reactants very strongly or for very long. FFS overcomes this hurdle by using very low temperatures to slow the catalytic reactions and then employing light to take a "snapshot" of the reactant-catalyst interaction. The FFS experiments are verified by additional laser studies conducted in the Netherlands. Professor Moore's graduate students travel to Nieuwegein to perform these measurements and to gain an appreciation for international culture. Initials studies examine the catalytic oxidation of carbon monoxide (CO) by oxygen (O2) on gold nanoparticles. This reaction has relevance in the alternative energy arena, since CO is a potent poison for the catalysts used in hydrogen fuel cells. The broader impacts of this work include the development of new methods for teaching science to humanities and social science majors within the liberal arts curriculum. Instructors will work with students to develop short, focused research projects with relevance to the students' primary areas of interest. These projects provide the undergraduates with insight into vital aspects of the scientific method.