Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 107, Issue 2, Pages 555-558Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0911356107
Keywords
complex-forming reactions; isotope effects; ozone; reactive scattering
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Funding
- National Natural Science Foundation of China
- Ministry of Science and Technology of China
- Chinese Academy of Sciences
- US Department of Energy
- German Science Foundation
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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.
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