Future Research
::: Atmospheric and Combustion Related Systems :::
The research  in this project deals with the radical chemistry of mildly oxidizing environments such as found for atmospheric and combustion conditions.  Such studies will involve the radicals OH, CH3,CH3O, and NO3 reacting with C2H4 and other small stable molecules. The most important goal of these studies is to generate a reaction path (or coordinate) and potential energy surface for the radical reactions of atmospheric and combustion related chemistry.  This goal will be achieved through a two pronged approach: experimental studies of the reactions at different vibronic or rovibronic levels of the reactant complex and possible product state identification if other radical or optically accessible species are generated; and an extensive theoretical effort to calculate the observed reaction surfaces, coordinates, and product state distributions. The four radicals of interest will be formed into ground state complexes with C2H4 or other small molecules in a supersonic expansion.
The ground state complex is not reactive because of a reaction barrier on this potential energy surface.  Reactions are initiated through photo excitation of the complexed radical.  The barriers to reaction on the excited state surfaces are typically small (ca. 1 kcal/mol) or non-existent. The advantage of this approach to the study of radical reactions is that the reaction is initiated at a known time (for dynamics studies), with a known total energy in the reactants, and with a known distribution of initial reactant states. The reactions within the complexes can be followed by optical/mass spectroscopy with nanosecond and picosecond or ¬ femtosecond time resolution to determine reaction dynamics and final product state distribution, and to identify the product species and channels.



09/10/2005