RUI: Infrared Matrix Isolation Studies of Cyclic Hydrocarbons with Nitrogen and Oxygen Bases, II

在这个由化学学部实验物理化学项目资助的RUI项目中，Dickinson学院的Cindy Samet将对取代环烃和Lewis碱之间的弱氢键进行研究。所研究的相互作用涉及烃基配合物与C-H—N（或O）氢键的相互作用。感兴趣的碳氢化合物系统是卤代环丙烷和环戊二烯，而碱是氨、三甲胺和二甲醚。傅立叶变换红外光谱（FTIR）结合了氩气和氮气矩阵的矩阵分离，将由从头计算补充。这个项目将有助于阐明氢键形成的必要条件。这些复合物可以作为更复杂系统中氢键的模型，如有机液晶和大型生物分子。最终，这些研究可能会影响我们对蛋白质折叠如何发生，超分子组装如何形成以及某些晶体如何生长的理解。所有这些学科都很重要，例如，在设计和创造新药或先进材料方面。

In this RUI proposal funded by the Experimental Physical Chemistry Program of the Chemistry Division, Cindy Samet of the Dickinson College will pursue a program of research on very weak hydrogen bonding between substituted cyclic hydrocarbons and Lewis bases. The interactions under study involve hydrocarbon-base complexes with C-H --- N (or O) hydrogen bonding. Hydrocarbon systems of interest are halogenated cyclopropane and cyclopentadiene, while bases are ammonia, trimethylamine, and dimethyl ether. Fourier Transform Infrared (FTIR) spectroscopy combined with matrix isolation in argon and nitrogen matrices will be complemented by ab initio calculations. This project will serve to elucidate conditions necessary for hydrogen bonds to form. These complexes can serve as a model for hydrogen bonding in more complicated systems such as organic liquid crystals and large biomolecules. Eventually these studies may have an impact on our understanding of how protein folding occurs, how supramolecular assemblies form, and how certain crystals grow. All of these subjects are important, for example, in designing and creating new pharmaceuticals or advanced materials.