Kinetics of BrO + NO → Br + NO2 Reaction

Quasiclassical trajectory procedures are used to study the kinetics of BrO + NO → Br + NO2 over the temperature range 225–450 K. Analytical forms of interaction potential functions including the contributions of electrostatic and induction effects are used. The rate constant varies weakly but negatively with temperature. It decreases from 1.96 × 10−11 at 225 K to 1.06 × 10−11 at 450 K, the results fitting closely the Arrhenius form k( T ) = 6.15 × 10−12 exp(253/ T ) cm3/molecule/s. The rate constant at 300 K is 1.38 × 10−11. The electrostatic and induction effects contribute to the interaction of the reactants at large distance. These effects are dominated by charge‐induced dipole interactions and lead to an increase of the kinetic energy of the relative motion, which is mainly responsible for the negative temperature dependence.