Variational transition state calculation of the rate constants for the N(4Su)+O2(X 3Σg−)→NO(X 2Π)+O(3Pg) reaction and its reverse between 300 and 5000 K

An improved analytical fit of the ground (2A′) potential energy surface (PES) involved in the N+O2→NO+O reaction and its reverse has been derived. This PES leads to variational transition state theory (VTST) rate constants that are in agreement with the experimental data of both reactions. The substantial improvement achieved for the forward reaction suggests that the new analytical PES should be more adequate than the earlier ones to describe this system.