Quantum Mechanical Investigation of the O+H2-> OH + H Reaction

Details Quantum Mechanical Investigation of the O+H2-> OH + H Reaction Quantum Mechanical Investigation of the O+H2-> OH + H Reaction

Dec 2002

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2002agufmsa72a0511n&link_type=abstract

American Geophysical Union, Fall Meeting 2002, abstract #SA72A-0511

Physics

0310 Airglow And Aurora, 0317 Chemical Kinetic And Photochemical Properties, 0325 Evolution Of The Atmosphere, 0340 Middle Atmosphere: Composition And Chemistry, 0342 Middle Atmosphere: Energy Deposition

Scientific paper

The reaction between O(3P) atoms and vibrationally excited H2 molecules has been suggested as an important source of OH in the mesosphere. The reaction is dominated by tunneling at low temperatures and quantum mechanical calculations are needed for accurate calculation of its rate coefficient. We report quantum mechanical calculations of cross sections and rate coefficients for the O+H2->OH +H reaction on chemically accurate potential energy surfaces. We present rotational and vibrational energy distributions of the product OH molecule for different initial vibrational state of the reagent H2 molecule and O(3P) atom kinetic energies.

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