The effect of rotational excitation on the reaction 18O(3P)+16O16O(3Σg−)→18O16O(3Σg−)+16O(3P A comparison of quasiclassical and hemiquantal hyperspherical dynamics Original Research Article

We present the results of quasiclassical trajectories (QCT) and hemiquantal hyperspherical (HQS) dynamics calculations for the exchange reaction 18O(3P)+16O16O(3Σg−)→18O16O(3Σg−)+16O(3P and its reverse. The effect of rotational excitation on reactivity has been investigated by calculating reaction cross sections for specific initial states for a collision energy in the range 0.01–0.45 eV. Detailed and thermal rate constants in the temperature range 150–700 K are presented. The influence of rotational excitation on reactivity is found to be similar by both QCT and HQS methods and a possible explanation of the results is proposed. The numerical values are compared with experimental ones and with those of other trajectories calculations.