RUI: Continued Studies of Condensed-Phase Structural Effects in Complexes of BCl3 and Group IV Lewis Acids

化学系的化学结构、动力学和机制项目支持詹姆斯·A·史密斯教授的研究。菲利普斯和本科研究生在威斯康星州-欧克莱尔大学（UWEC）。菲利普斯和他的学生将扩展他们以前的实验和理论研究的一类新的刘易斯酸碱复合物，经历了显着的结构变化之间的各种化学环境（即，当它们从气相移动到溶液时）。他们的主要实验技术是低温红外光谱，适用于这些复合物的两种类型的样品环境：由组分组成的固体薄膜，以及用少量它们接种的固体氖或氩样品。这些测量将与理论计算相结合，以确定气相结构和能量特性，从而深入了解结构变化的程度，以及凝相环境表现它们的机制。除了基本的动机之外，这项工作可能最终导致一类新的分子机器或开关，因为所寻求的复合物包含可以受到宏观外部刺激影响的单个键。这是所有纳米技术应用系统的关键设计特征。此外，这项研究将在一所低成本，可访问的公立大学进行，该大学在促进低收入和第一代学生的职业生涯方面有着良好的记录，其中很高的比例被录取到博士课程。因此，对该项目的持续资助将增加这些学生获得专业仪器和计算方法经验的机会，这些经验在课堂环境中不会发生，并提高他们的写作和演讲技巧。

The Chemical Structure, Dynamics and Mechanisms Program of the Division of Chemistry supports the research of Professor James A. Phillips and undergraduate research students at the University of Wisconsin - Eau Claire (UWEC). Phillips and his students will extend their previous experimental and theoretical research on a novel class of Lewis acid-base complexes that undergo significant structural changes between various chemical environments (i.e., when they move from the gas-phase to a solution). Their primary experimental technique is low-temperature infrared spectroscopy, which is applied to two types of sample environments for these complexes: solid thin films comprised of the components, and samples of solid neon or argon seeded with small quantities of them. These measurements will be combined with theoretical calculations to determine gas-phase structural and energetic properties, which provide insight into the extent of the structural changes, as well as the mechanism by which condensed-phase environments manifest them. Beyond fundamental motivations, this work may ultimately lead to a new class of molecular machines or switches, because the complexes sought contain individual bonds that can be affected by a macroscopic, external stimulus. This is the key design feature of all systems that underlie nanotechnology applications. Moreover, this research will take place at a low-cost, accessible, public university with a track record of advancing the careers of low-income and first-generation students, of which a high percentage matriculate to PhD programs. As such, continued funding for this project will enhance opportunities for these students to gain experience with specialized instruments and computational methods that would not occur in a classroom setting, and also bolster their writing and presentation skills.