4.7 Article

Coriolis coupling as a source of non-RRKM effects in ozone molecule: Lifetime statistics of vibrationally excited ozone molecules

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 132, Issue 22, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.3430514

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Funding

  1. Division Of Chemistry
  2. Direct For Mathematical & Physical Scien [0848178] Funding Source: National Science Foundation

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A theory that describes the non-RRKM (non-Rice-Ramsperger-Kassel-Marcus) effects in the lifetime statistics of activated ozone molecules is derived. The non-RRKM effects are shown to originate due to the diffusive energy exchange between vibrational and rotational degrees of freedom in ozone molecule. The lifetime statistics is found to be intramolecular diffusion controlled at long times. The theoretical results are in good agreement with the direct MD simulations of lifetime statistics. (C) 2010 American Institute of Physics. [doi:10.1063/1.3430514

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