Trajectory studies of atomic recombination reactions. V. Recombination of bromine atoms

摘要

Recombination of Br atoms in Ar was studied by 3D trajectory calculations between 300 and 1500deg;K. The recombination path via unstable Brsngbnd;Ar quasidimers was included in the calculations, which yield recombination rate constants in agreement with experiment within a factor of 2, provided that the ArBr Lennardhyphen;Jones interaction is of the order of 0.5 kcalsol;mole.