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

化学学部的化学结构、动力学和机制项目为威斯康星大学欧克莱尔分校（UWEC）的James A. Phillips教授和本科生提供研究支持。菲利普斯和他的学生将扩展他们之前的实验和理论研究，研究一类新型的刘易斯酸碱配合物，这种配合物在不同的化学环境中（即，当它们从气相转移到溶液中时）会发生显著的结构变化。他们的主要实验技术是低温红外光谱，该技术应用于这些复合物的两种样品环境：由成分组成的固体薄膜和含有少量成分的固体氖气或氩气样品。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，以及凝聚相环境表现它们的机制。除了基本动机之外，这项工作可能最终导致一种新的分子机器或开关，因为所寻找的复合物包含可以受宏观外部刺激影响的单个键。这是支撑纳米技术应用的所有系统的关键设计特征。此外，这项研究将在一所低成本、无障碍的公立大学进行，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，其中有很高比例的学生进入了博士课程。因此，该项目的持续资助将增加这些学生获得在课堂环境中无法获得的专业仪器和计算方法的经验的机会，并提高他们的写作和演讲技能。

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.