THE REACTION OF ATOMIC FLUORINE WITH FORMYL FLUORIDE - AN EXPERIMENTAL AND THEORETICAL-STUDY

The rate coefficient for the reaction of F + HFCO has been determined over the temperature range 298-368 K by monitoring the appearance rate of HF infrared chemiluminescence using the infrared multiphoton dissociation-infrared chemiluminescence technique. Results, expressed in the Arrhenius form k(T) = 4.4 ± 2.6 × 10-11 exp[- 1800 ± 400/ RT] cm 3 molecule-1 s-1, are compared with the barrier height calculated using ab initio molecular orbital theory. The rate coefficient is theoretically discussed with the aid of essential features of the potential energy surface for the F + HFCO system and the potential importance of the reaction is considered. A rate coefficient for deactivation of excited HF by HFCO is reported as 1.2 ± 0.2 × 10-12 cm3 molecule-1 s-1. © 1990 American Institute of Physics.