New Molecular Systems

该补助金是在有机和高分子化学 程序. 在这项研究中，一项实验技术将 将存款瞬态分子在非常低的 温度接近其他不稳定的物种， 可以发现和研究新类型的反应性。 这是 一个重要的研究领域，因为它将增加我们的 了解如何各种电子性质的高度 应变和非常活跃的有机分子影响他们的 反应性和物理特性。 斯泰利教授 公正地选择了他的一系列模型化合物， 小到足以进行理论研究， 量子计算。 具体来说，他将把他新开发的气相真空 脱氢卤化合成技术， 低温（-196 ℃）下高度不稳定的瞬态分子 并研究它们的物理特性， 光谱技术 他将继续他有趣的 研究显示莫比乌斯离域的分子， 环庚三烯阴离子。 他的实验研究将是 高级从头算分子轨道 计算。

This grant is in the Organic and Macromolecular Chemistry Program. In this study an experimental technique will be employed that will deposit transient molecules at very low temperatures in close proximity to other unstable species so that novel types of reactivity can be discovered and studied. This is an important area of research because it will increase our understanding of how the various electronic properties of highly strained and very reactive organic molecules influence their reactivity and physical characteristics. Professor Staley has judicially chosen his series of model compounds so that they are small enough to be amenable to theoretical study employing high level quantum calculations. Specifically, he will extend his newly developed gas phase vacuum dehydrohalgenation synthetic techniques to the preparation of highly unstable transient molecules at low temperature (-196C) and study their physical properties with a variety of spectroscopic techniques. He will continue his interesting studies of molecules that display Mobius delocalization such as the cycloheptatrienyl anion. His experimental studies will be augmented by advanced level ab initio molecular orbital calculations.