Theoretical study on the kinetics of the CF3O + NO reaction

The total rate constant was found to exhibit weak negative temperature dependence, in line with most experimental results. The formation of FNO + CF2O is dominant at ambient temperature.

The branching ratio of FNO + CF2O accounts for 0.922-0.618 at T = 150-3000 K peaking around 400 K. When temperature rises, the FON + CF2O channel becomes more and more appreciable, the branching ratio of FON + CF2O accounts for 0.001-0.382 at T = 150-3000 K increasing with temperature. At room temperature, the total rate constant is almost independent of the pressure, in agreement with previous experimental result.