title: State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions.
abstract: The O + O(2) exchange reaction is a prerequisite for the formation of ozone in Earth's atmosphere. We report here state-to-state differential and integral cross sections for several O + O(2) isotope-exchange reactions obtained by dynamically exact quantum scattering calculations at collision energies relevant to atmospheric conditions. These reactions are shown to be highly nonstatistical, evidenced by dominant forward scattering and deviation of the integral cross section from the statistical limit. Mechanistic analyses revealed that the nonstatistical channel is facilitated by short-lived osculating resonances. The theoretical results provided an in-depth interpretation of a recent molecular beam experiment of the exchange reaction and shed light on the initial step of ozone recombination.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Sun
authors.forename: Lan
authors.initials: L
authors.lastname: Liu
authors.forename: Shi Ying
authors.initials: SY
authors.lastname: Lin
authors.forename: Reinhard
authors.initials: R
authors.lastname: Schinke
authors.forename: Hua
authors.initials: H
authors.lastname: Guo
authors.forename: Dong H
authors.initials: DH
authors.lastname: Zhang
mesh_terms: D001272:Atmosphere; D018534:Earth, Planet; D007553:Isotope Labeling; D007700:Kinetics; D016011:Normal Distribution; D010100:Oxygen / Q000737:chemistry*; D010103:Oxygen Isotopes / Q000737:chemistry; D010126:Ozone / Q000737:chemistry; D011237:Predictive Value of Tests; D012399:Rotation; D013816:Thermodynamics
chemical_list: D010103:Oxygen Isotopes; D010126:Ozone; D010100:Oxygen