Quantum-classical reaction path study of the reaction O(3P)+O3(1A1)→2O2(X 3Σ−g)

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Abstract
The atmospheric reaction O(3P)+O3(1A1)→2O2(X 3Σ−g) is studied using the reaction path approach. In addition to total reaction rate constants and cross sections, product vibrational state‐resolved cross sections and rate constants are computed. The product vibrational state distribution shows that one of the product O2 molecules is formed in a higher vibrational state than the other with a broad distribution the tail of which extends beyond v=27. However, no bimodal pattern is seen in the vibrational distribution in contrast to that found for O2 molecules resulting from O3 photodissociation in recent experimental studies. The vibrational excitation of the product O2 molecules is found to be mainly due to the large increase in the coupling element which couples the reaction path motion to the perpendicular vibrational motion.