Date Published:
SEP 11Abstract:
Classical trajectory computations and a kinematic analysis of the collision of two CH3I molecules are presented. The yield of molecular and atomic iodine is examined as a function of reactant translational and vibrational energy. The potential energy function is of the LEP form, which has a high late barrier where all bonds are extended. Vibrational excitation of CH3I enhances the barrier crossing and molecular products are formed highly vibrationally excited. Kinematic considerations indicate the same trends. The results are discussed as a possible mechanism for the formation of molecular iodine via ultrafast heating achieved in wall collisions of CH3I clusters. (C) 1998 Elsevier Science B.V. All rights reserved.
