화학공학소재연구정보센터
Journal of Chemical Physics, Vol.104, No.23, 9482-9494, 1996
Quantum-Classical Reaction-Path Study of the Reaction O(P-3)+o-3((1)A(1))-)20(2)(X(3)Sigma(-)(G))
The atmospheric reaction O(P-3)+O-3((1)A(1))-->20(2)(X (3) Sigma(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 O-2 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 O-2 molecules resulting from O-3 photodissociation in recent experimental studies. The vibrational excitation of the product O-2 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.