On the dynamics of the O(1D) + CF3Br reaction

An experimental and theoretical investigation of the reactive properties of the O(1D) + CF3Br system has been carried out using crossed molecular beam scattering measurements and quasiclassical trajectory calculations. From the crossed beam experiment energy and angular distributions of the BrO reaction product were obtained. By carrying out trajectory calculations on a potential energy surface that we derived from spectroscopic and ab initio data, rate coefficients and scattering properties were estimated. The calculated properties are in reasonable agreement with experimental findings. Trajectory calculations were also performed to evaluate the temperature dependence of the rate coefficient of the processes leading to CF3O + Br and BrO + CF3.