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SAMOP 2021 – scientific programme

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MO: Fachverband Molekülphysik

MO 9: Poster 2

MO 9.5: Poster

Friday, September 24, 2021, 17:30–19:30, P

Ozone formation through three-body collisions: Theory and experiment reconciled — •Marjan Mirahmadi1, Jesús Pérez-Ríos1,2, Oleg Egorov3, Vladimir Tyuterev3,4, and Viatcheslav Kokoouline51Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany — 2Department of Physics, Stony Brook University, Stony Brook, New York 11794, USA — 3Quamer Laboratory, Tomsk State University, Tomsk, Russia — 4Groupe de Spectrometrie Moléculaire et Atmospherique, UMR CNRS 7331, University of Reims Champagne-Ardenne, Reims, France — 5Department of Physics, University of Central Florida, Florida, USA

We present a direct three-body recombination approach to study the formation of ozone through the ternary collision O2 + O + M → O3 + M, where M can be N2, O2 or Ar. The rate coefficients for the formation of O3, without using two-steps approximations, were computed for the first time as a function of collision energy. Accordingly, thermally-averaged rates were derived for temperatures 5-900 K. As a result, we find that most of the ozone molecules are formed in weakly bound states that are further vibrationally quenched into deeply bound vibrational states relevant for UV absorption, in agreement with the experimental observations. Moreover, our formalism, based on classical trajectory calculations, allows having a fully ab initio and pressure-independent rate for ozone formation.

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