New Molecular Systems

这项资助是在有机化学和高分子化学项目中进行的。在这项研究中，将采用一种实验技术，在非常低的温度下在接近其他不稳定物种的地方沉积瞬时分子，以便发现和研究新类型的反应性。这是一个重要的研究领域，因为它将增加我们对高度应变和非常活跃的有机分子的各种电子性质如何影响其反应性和物理特性的理解。Staley教授明智地选择了他的一系列模型化合物，这样它们就足够小，可以用高水平的量子计算进行理论研究。具体地说，他将把他最新开发的气相真空脱氢合成技术扩展到在低温(-196摄氏度)下制备高度不稳定的瞬时分子，并用各种光谱技术研究它们的物理性质。他将继续他对显示莫比乌斯离域的分子的有趣研究，例如环庚三烯基阴离子。他的实验研究将通过高级从头算分子轨道计算得到加强。

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.