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

在这个项目中，俄克拉荷马州立大学化学系实验物理化学项目的Paul Devlin将使用振动光谱学来表征各种水冰形式表面的分子行为，包括立方冰、无定形冰、酸水合物和笼形水合物。这项工作的一个重点是研究表面“悬垂”氢键的行为，以及各种吸附小分子的行为。感兴趣的吸附剂包括H2， CO2, SO3, HCl，乙烯，苯，CO和N2。冰的结构缺陷的性质及其在冰和包合物的性质和相变中的重要性也将被研究。德夫林将与一位理论家合作，后者将模拟他的实验数据，以便更多地了解吸附过程。该项目部分需要对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。这些问题包括臭氧空洞的形成、酸雨和烟雾等迫在眉睫的环境问题。此外，这些实验将有助于阐明一些天体物理学感兴趣的领域，如星际空间分子形成的机制和彗星尾巴的组成。

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.