EXIT-CHANNEL COUPLING EFFECTS IN THE UNIMOLECULAR DECOMPOSITION OF TRIATOMICS

A survey was carried out, by trajectory methods, of the behavior of triatomic unimolecular systems having a potential barrier in the product channel. Principal variables were atomic mass combinations, molecular geometry, degree of coupling of triatomic bending forces to product motion, and angular momentum content of the initial conditions. Distributions were found for conversion of potential energy at the barrier to product translational energy. Broadening and shifting effects on these distributions were observed and are discussed. The observed exit-channel effects are compared with experimental measurements of product energy distributions. © 1979 American Chemical Society.