REACTION DYNAMICS IN SOLUTION - THE ACTIVATED CL+CL2 EXCHANGE IN FLUID AR

Useful tools are available for the characterization of the dynamics of an isolated binary collision. A renormalization of the exact equations of motion whereby such tools are also applicable to reactions in a solvent is discussed. The well-studied Cl + Cl2 exchange reaction in fluid Ar at 300 K is used as an illustration. Inter alia, we compute the opacity function, the energy requirements and the energy disposal. Due to the high (almost-equal-to 20 kcal mol-1) barrier for the atom exchange and the wide cone of acceptance, the thermal reaction populates quite high vibrational and rotational products' states. The deviation from statistical behavior is well characterized by a linear surprisal plot.