A STUDY OF THE REACTION DYNAMICS FOR THE H-CLASSICAL TRAJECTORY THEORY(BRCH3 SYSTEM USING QUASI)

In the present paper, scattering probabilities and rate constants of d ifferent channels for the H + BrCH3 reaction system have been calculat ed by means of quasiclassical trajectory (QCT) method. Several importa nt kinetic effects such as vibrational enhancement, channel competitio n, vibrational adiabaticity, mass combination, coupling of angular mom enta and the relation between the kinetic effects and the feature of t he potential energy surface have been discussed. Based on these analys es, a direct-type rebonded mechanism for this reaction has been inferr ed and used to explain the nonsymmetric angular distribution of the pr oducts crossed-molecular beam experiment. The agreement of calculation with experimental results is satisfactory.