Dynamics of the Simplest Reaction of a Carbon Atom in a Tetrahedral Environment

摘要

Reactions occurring at a carbon center are one of the most important and useful classes of reactions in chemistry.The simplest reaction at a carbon atom with a tetrahedral environment is that of an H atom with methane,and understanding this prototypical reaction has impications for a number of fields ranging from organic and combustion chemistry to fundamental reaction dynamics.Consequently,it has been the subject of numerous experimental studis~[1] exploring the kinetics and isotope effects of both the forward and reverse reactions.Recent theoretical work includes new potential energy surface calculations~[2-6] direct dynamics studis,~[7] calculation of isotope effects,~[8] and new quantum scatterng methods~[9] that have been reviewed by Althorpe and Clary.~[10]