Absorption line shapes and solvation dynamics of CH3I in supercritical Ar

We consider the electronic spectroscopy of dilute CH3I in supercritical Ar fluid. Absorption line shapes for the B<--X transition of CH3I have been measured previously in low-density argon, which yielded results for the CH3I/Ar pair potentials, Using these potentials, Kalbfleisch et nl. [J. Chem. Phys. 105, 7034 (1996)] have performed molecular dynamics simulations to calculate the absorption line shapes at higher densities, and also the solvation correlation function. We compare the results of several analytic theories to the simulated line shapes and solvation correlation functions. (C) 1997 American Institute of Physics.