DYNAMICS OF THE REACTION OF METHYL RADICALS WITH IODINE MOLECULES

The CH3 + I-2 reaction is studied by classical trajectory procedures. The majority of reactive collisions occur on a subpicosecond scale nea r the collinear configuration of C ... I-I, showing an anisotropic dep endence on the initial orientation of I-2 and significant excitation o f the H3C-I vibration, The collision involves two periods: the period from the start of collision to the impact (0.2-0.4 ps), where the earl y release of the exoergicity and energy buildup in the I-2 vibration o ccur; and the period from the impact to the end of collision (0.3-0.5 ps), during which the C ... I interaction converts the exoergicity int o the H3C-I vibration. (C) 1997 Elsevier Science B.V.