Professor Elliot R. Bernstein of Colorado State University is supported by the Experimental Physical Chemistry program to perform experimental and theoretical studies on small radicals and their reactions in the gas phase. The fundamental question pertains to the detailed description of bimolecular reactions. In order to achieve the desired level of detail, it is required that the dimensionality of the reactive coordinates be reduced, and the PI proposes an experimental means to do so. Small radicals such as NCO and NO3 will be complexed with hydrogen-containing coreactant species in a beam, and the reaction is photoinitiated. The ensuing hydrogen abstraction products are analyzed using laser induced fluorescence or mass-resolved excitation spectroscopy. Ab initio theory will be employed to follow the reaction on the reactant complex excited electronic state potential energy surface to find the path for the generation of the product radical.
In addition to advancing fundamental knowledge about bimolecular reactions, this research will contribute to a fuller understanding of the role played by such complexes and excited electronic states in atmospheric and combustion chemistry.
