Collaborative Proposal: Spectroscopy of Pd and Pt Catalytic Mimetics

实验物理化学项目支持南伊利诺伊大学Leah O'Brien教授和密苏里大学圣路易斯分校James O'Brien教授的合作研究项目。奥布莱恩夫妇和他们的学生将使用高分辨率电子光谱来研究气相中含有铂和钯的自由基。吸收光谱将使用位于密苏里大学圣路易斯分校的腔内激光光谱仪获得。可见光和近红外发射光谱将使用基特峰麦克马斯-皮尔斯太阳天文台的傅立叶变换发射光谱仪进行记录。这些高分辨率的光谱研究将辅以理论计算，以了解过渡金属系统中电子结构和键合的细节。这些物质的特点是开壳结构，这导致了核、电子、振动和旋转自由度之间的一系列相互作用。这项工作将导致对金属-配体相互作用的更深层次的理解，并可能提供对金属催化反应的见解。该合作项目由一所主要本科院校和一所主要研究型大学的研究人员组成，将培养本科生和硕士水平的研究生，学习当代实验和理论光谱学技术。该项目还包括一个让有才华的高中生参与研究的外展计划。

The Experimental Physical Chemistry program supports the collaborative research projects of Professor Leah O'Brien at Southern Illinois University and Professor James O'Brien at the University of Missouri, St. Louis. The O'Briens and their students will use high-resolution electronic spectroscopy to study platinum- and palladium-containing radicals in the gas phase. Absorption spectra will be obtained using an intracavity laser spectrometer located at the University of Missouri, St. Louis. Visible and near-infrared emission spectra will be recorded using the Fourier transform emission spectrometer at the Kitt Peak McMath-Pierce Solar Observatory. These high-resolution spectroscopic studies will be complemented by theoretical calculations to understand the details of the electronic structure and bonding in the transition metal systems. These species are characterized by open shell structures, which give rise to a host of interactions between nuclear, electronic, vibrational, and rotational degrees of freedom. The work will lead to a deeper understanding of metal-ligand interactions and potentially provide insight on metal-catalyzed reactions. This collaborative project between researchers at a primarily undergraduate institution and a major research university will train undergraduate and MS level graduate students in the techniques of contemporary experimental and theoretical spectroscopy. The project also contains an outreach program that will allow talented high school students to participate in the research.