Spectroscopic Studies of Structures and Defect Activities of Icy Clusters and Thin Films

在俄克拉荷马州立大学化学系实验物理化学项目中，俄克拉荷马州立大学的Paul Devlin将使用振动光谱来表征各种形式的水冰表面的分子行为，包括立方冰、无定形冰、酸性水合物和笼状水合物。这项拟议工作的一个重点是研究表面以及各种类型的吸附小分子的“悬挂”氢键的行为。感兴趣的吸附物包括H2、CO2、SO3、HCl、乙炔、苯、CO和N2。还将研究冰中结构缺陷的性质及其在冰和笼状化合物的性质和相变中的重要性。德夫林将与一位理论家合作，后者将模拟他的实验数据，以了解更多关于吸附过程的信息。该项目在一定程度上需要对在冰面上发生的过程进行基础实验室研究，其中许多过程涉及当前相当感兴趣的自然现象。其中包括臭氧层空洞的形成、酸雨和烟雾等环境紧迫问题。此外，这些实验将有助于阐明天体物理学感兴趣的领域，如星际空间中分子的形成机制和彗尾的组成。

In this project in the Experimental Physical Chemistry program of the Chemistry Division Paul Devlin of Oklahoma State University will use vibrational spectroscopy to characterize molecular behavior at the surface of various water ice forms including cubic ice, amorphous ice, acid hydrates, and clathrate hydrates. One focus of the proposed work is on the behavior of "dangling" hydrogen bonds at the surfaces as well as of various types of adsorbed small molecules. Adsorbates of interest include H2, CO2, SO3, HCl, ethyne, benzene, and CO and N2. The nature of structural defects in ice and their importance in the properties and phase transitions of ice and clathrates will also be investigated. Devlin will collaborate with a theoretician who will simulate his experimental data in order to learn more about the adsorption process. This project entails in part a fundamental laboratory study of processes which take place on ice surfaces, many of which are involved in natural phenomena of considerable current interest. Among these are the environmentally urgent issues of the formation of the ozone hole, acid rain, and smog. In addition, these experiments will help elucidate such areas of astrophysical interest as the mechanism of the formation of molecules in interstellar space and the composition of cometary tails.