Far Infrared Studies of Molecular Interactions

在实验物理化学计划的这个项目中，Kenneth R. Leopold博士将使用可调的高分辨率可调远红外光谱来研究1)弱结合复合物的势能表面和内部动力学，以及2)分子内质子转移反应的动力学。第一个领域的工作将集中在具有多个次级最小电位和大振幅振动的系统上。这些模型对于具有竞争性结合位点的更一般的化学复合物是重要的。在第二个领域，将研究分子内氢键分子丙二醛的分子内质子转移动力学。特别是，质子运动产生的隧道分裂将在分子的几个骨架振动模式中存在振动激发量子的情况下进行检查。氢键和其他弱分子间相互作用是重要的，因为它们可以引导许多具有重要技术和生物学意义的化学反应的过程。因此，从根本上理解这些相互作用是很重要的。利奥波德博士将利用他实验室建造的一种特殊的高分辨率红外光谱仪来探测分子间相互作用的强度和性质，从而进一步加深对这一问题的理解。

In this project in the Experimental Physical Chemistry Program Dr. Kenneth R. Leopold will use tunable, high-resolution tunable far infrared spectroscopy to study 1) potential energy surfaces and internal dynamics of weakly-bound complexes and 2) the dynamics of intramolecular proton transfer reactions. Work in the first area will focus on systems with multiple secondary potential minima and large amplitude vibrations. These are important as models for more general chemical complexes which exhibit competitive binding sites. In the second area intramolecular proton transfer dynamics will be investigated for the internally hydrogen bonded molecule molecule malonaldehyde. In particular, the tunneling splittings produced by the proton motion will be examined in the presence of a quantum of vibrational excitation in several of the skeletal vibrational modes of the molecule. %%% Hydrogen bonding and other weak intermolecular interactions are important because they can steer the course of many chemical reactions of vital technological and biological importance. It is therefore important to understand these interactions at a fundamental level. Dr. Leopold will add to this understanding by probing the strength and nature of intermoecular interactions using a special, high resolution infrared spectrometer constructed in his laboratory.