ABSTRACT

The dynamics of a chemical process can change considerably in going from the gas phase to the liquid phase. One fundamental reason for such differences is that liquids are able to solvate chemical species. For example, solvation might stabilize the transition state in a chemical reaction to a greater extent than it stabilizes the reactants, thereby accelerating the reaction rate. Of course, solvation itself is a dynamic process, which has important implications for chemical processes in solution. If the lifetime of a transition state is shorter than the inherent dynamic time scale of the solvent, for instance, solvation will not be able to stabilize the transition state to the fullest possible extent. The above example illustrates the importance of gaining a molecular-level understanding of the dynamics of solvents.