In this project in the Experimental Physical Chemistry Program of the Chemistry Division, theoretical and experimental studies of small clusters will be made in order to derive potential energy parameters which might form the basis for functional group transferable intermolecular potentials. One of the main objectives of this study is to develop a quantitative understanding of hydrogen bonding. Quantum and semiclassical simulation methods will be used to predict cluster spectra and determine accurate potential energy surfaces for several organic molecules. High resolution infrared spectra of clusters formed from these molecules will be measured using laser-molecular beam techniques. The experimental and theoretical results will be combined to develop group-transferable potential energy surfaces that can be used in studies of energy relaxation and in molecular modelling codes. %%% One of the most fluorishing areas in physical chemistry is the study of the formation, structure, and dynamics of clusters in small molecular systems. Such species are important in atmospheric and combustion chemistry and their properties can more easily be calculated with present theories. The proposed studies will provide data which can be compared with existing theories to test their validity and to stimulate more sophisticated models. These models will ultimately lead to a detailed understanding of environmentally and biologically significant systems.
