Kinetics of thermal reaction HOCl⇌H(²S) + OCL(X²Π<inf>i</inf>) in gas phase

Abstract

The kinetics of gas reaction (formula presented) was analyzed by the MP4 method. In the temperature range of 100–373 K the rate constantsr kf and kr and equilibrium constant K were changed from 1.10 × 10–220 to 1.17 × 10–52 s–1, from 2.89 × 10–16 to 1.68 × 10–5 s–1 and from 3.80 × 10–205 to 6.96 × 10–48 respectively. In the above temperature range, the activation energy of the forward reaction (Ef) is 105.05 kcal/mol. In the same temperature interval there are two kinetic domains for the reverse reaction with activation energies (Er1 = 5.53 kcal/mol when T is 100–273 K and Er2 = 14.50 kcal/mol when T is 273– 373 K, respectively.