Modeling and Laser Control of Molecular Vibrational Energy Flow

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Martin Grubele of the University of Illinois at Urbana is supported by a grant from the Experimental Physical Chemistry Program to continue his work on vibrational energy flow in organic molecules. This involves (1) the extension of his theoretical models to include methanol, pyrrole, acetonitrile, ketene and thiophosgene, (2) experimental tests using systems such as CH2CO, halogenated thioformaldehydes and benzopyranthione, (3) experimental control of vibrational energy flow (IVR) using laser/molecule interactions and (4) modeling of IVR. The experiments will be carried out using stimulated emission pumping of expanding molecular beams with ultra fast pump/probe spectroscopy. The theoretical work will be carried out by MFD and SUR computational techniques developed by the PI and others.The studies will further understanding of how vibrational energy moves around complex organic molecules by exciting an expanding beam of molecules by stimulated emission or ultrafast laser pumping. This will be theoretically modeled using large scale ab initio RRKM based theory. The laser pumping will also be used to slow down the rate of energy transfer, thus initiating the first stage of controlling chemical reactions. This has important implications to photochemistry.