Ring Mediated Interaction of Non-Rigid Moeities

蒙大拿州立大学的Lee H. Spangler教授将在化学学部物理化学项目中研究分子的电子态对其非刚性部分之间相互作用的影响。具体地说，甲基和胺的相互作用将作为分子中距离的函数与pi电子系统进行检查，使用各种光谱技术应用于在超音速射流膨胀中制备的样品。期望能对电子态对构象变化的影响有所了解。分子的振幅大、频率低的运动影响分子的构象偏好和反应特异性。例如，通过对一个小得多的相关物种的结构进行基础研究，获得了一种试剂分子的构象知识，这使得一位研究人员能够设计出一种大型聚醚抗生素的合成路线。详细了解是什么决定了构象偏好作为分子环境和电子状态的函数也是理解生物活性的关键。目前的项目旨在收集几种类型分子系统的构象信息。

In this project in the Physical Chemistry Program of the Chemistry Division, Professor Lee H. Spangler of Montana State University will study the effect of the electronic state of a molecule on interactions between its non-rigid parts. Specifically, methyl and amine interactions will be examined as a function of distance in molecules with pi-electron systems using various spectroscopic techniques applied to samples prepared in a supersonic jet expansion. An understanding of the influence of electronic state on conformational changes is expected to result. %%% The large amplitude, low frequency motions of molecules affect the conformational preferences and reaction specificity of those molecules. For example, knowledge of the conformation of a reagent molecule obtained from the fundamental study of the structure of a much smaller related species allowed one researcher to devise a synthetic route for a large class of polyether antibiotics. A detailed understanding of what determines conformational preferences as a function of molecular environment and electronic state is also key to understanding biological activity. The current project aims at gathering conformational information in several types of molecular systems.