Spectroscopic and Simulation Studies of Structures and Mobilities of Icy Surfaces and Adsorbates

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In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Devlin will continue studies on characterizing the structure of ice surfaces and adsorbates using spectroscopic techniques in order to provide a detailed picture of the structural and dynamical interactions between them. FTIR measurements will be used to examine the ability to form stable nanoparticle assemblies of crystalline ice and other molecular solids at cryogenic temperatures. Another aspect of the proposal involves theoretical modeling of the properties of ice, particularly those related to the measurements. The nature and effect of hydrogen-bonding molecules such as HCN, NH3, ethylene oxide, HCl, and H2S with the surface and subsurface will be examined. A study of the mobility of water molecules near the surface and an extension of these studies to other molecular substances, including binary mixtures with alcohols, acids, and the like, will be undertaken. 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.