Kinetics of Hydroxyl Radical Reaction with CF2ClOCHO: A Theoretical Investigation
The rate constant for the hydrogen abstraction reaction between CF2ClOCHO and OH radical has been calculated for the first time by using the modified ab initio G2(MP2) and standard transition state theories. The Arrhenius equation for the rate constant, ktotal, within the temperature range of 250 K to 450 K is estimated to be 7.1×10-13exp(-845/T) cm3 molecule-1 s-1.