In Situ NMR of Catalytic Reactions

这个项目得到了化学部分析和表面化学项目的支持，旨在实现对固体表面催化反应的基本了解。现场使用的固体核磁共振波谱是所涉及的主要仪器。要研究的催化材料包括沸石、金属卤化物和金属氧化物。通过计算机进行理论模拟，将为解释核磁共振实验结果提供指导和验证。瞬变方法将被用来确定短寿命反应中间体的特性和结构。此外，还需要研究封闭介质中的光解离过程。这项研究将加深我们对催化剂如何促进化学反应的理解。在石油、润滑油和制药等具有重要技术意义的领域，催化材料在生产化学产品中发挥着非常重要的作用。使用催化剂的原因有很多，其中重要的是能源效率和更积极的环境影响。这项工作中使用的光谱(核磁共振)类型非常适合于研究在沸石和金属氧化物等固体材料上发生催化反应的方式。

This project, supported in the Analytical and Surface Chemistry Program of the Chemistry Division, is directed toward achieving a fundamental understanding of catalytic reactions at solid surfaces. Solid state Nuclear Magnetic Resonance (NMR) spectroscopy used in situ is the principal instrumentation involved. Among the catalytic materials to be investigated are zeolites, metal halides and metal oxides. Theoretical modeling via computer will provide guidance and confirmation in the interpretation of experimental NMR results. Transient approaches will be used to determine the identity and structure of short-lived reaction intermediates. In addition, photodissociation processes in confining media are to be studied. This research will increase our understanding of how chemical reactions promoted by catalysts take place. Catalytic materials play a very important role in the production of chemical products in such technologically significant areas as the petroleum, lubricants, and pharmaceutical industries. Catalysts are used for many reasons and significant among them are energy efficiency and a more positive environmental impact. The type of spectroscopy (NMR) employed in this work is well suited to study the way catalytic reactions occur at solid materials such as zeolites and metal oxides.