RUI: Probing the quantum dynamics of adsorbed molecules in metal-organic frameworks

奥伯林学院的Stephen FitzGerald获得了化学部化学结构、动力学和机制项目的一项奖励，该项目使用红外光谱法研究一类被称为金属有机框架的多孔材料中吸附气体的量子动力学。 本研究探讨了在一个特定的吸附位点的相互作用势和量子限制效应的重要性，与零点能。 这项工作提供了一个直接的实验测试，最近的努力，模型货车德瓦尔斯相互作用和量子波动的复杂材料。 本科生是这项工作的核心，从设计和建造专用设备，到数据采集，到分析，再到撰写出版手稿。这项研究有助于正在进行的开发氢存储材料的努力，这些材料对汽车氢燃料电池的使用至关重要。 这些材料还将能够选择性地捕获二氧化碳，这对天然气净化和旨在固碳的环境工作至关重要。 该项目的性质特别适合于本科生的培训，因为该主题与课程作业有很好的联系，但其可能的应用范围很广。 学生将获得广泛的实验室实践经验，这对研究生院和其他技术职业非常重要。

Stephen FitzGerald of Oberlin College is supported by an award from the Chemical Structures, Dynamics and Mechanisms program in the Chemistry division to use infrared spectroscopy to study the quantum dynamics of adsorbed gases within a class of porous materials known as metal-organic frameworks. This research probes the interaction potential at a particular adsorption site and the importance of quantum confinement effects, associated with zero-point energy. The work provides a direct experimental test of recent efforts to model van der Waals interactions and quantum fluctuations within complex materials. Undergraduate students are central to all aspects of this work from the design and construction of the specialized equipment, to the data acquisition, to the analysis, to the writing of the manuscripts for publication.The research contributes to the ongoing effort to develop materials for hydrogen storage critical for the use of hydrogen fuel cells in automobiles. These materials will also enable the selective capture of carbon dioxide which is vital to natural gas purification and environmental efforts aimed at carbon sequestration. The nature of this project is particularly appropriate to the training of undergraduate students, in that the topic is well-connected to coursework but broad in its possible applications. Students will gain extensive hands-on laboratory experience of importance for graduate school and other technical careers.