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A Caltech Library Repository Feedhttp://www.rssboard.org/rss-specificationpython-feedgenenFri, 12 Apr 2024 23:51:53 +0000Non-RRKM effects in dissociation of ozone: Analytical treatment
https://resolver.caltech.edu/CaltechAUTHORS:20120815-130733634
Authors: {'items': [{'id': 'Kryvohuz-M', 'name': {'family': 'Kryvohuz', 'given': 'M.'}}, {'id': 'Marcus-R-A', 'name': {'family': 'Marcus', 'given': 'R. A.'}, 'orcid': '0000-0001-6547-1469'}]}
Year: 2010
Previous studies have shown that the unusual mass-independent isotope effect in ozone formation can be explained by
assuming some non-RRKM behavior of energetic ozone mols. [1]. We propose a classical theory to describe the non-
RRKM effects in activated triat. mols., such as ozone, which are caused by Coriolis coupling between rotations and
vibrations. The Coriolis coupling is shown to result in an effective diffusive energy exchange between the rotational and
vibrational degrees of freedom. A stochastic differential equation is obtained for the K-component of the rotational
angular momentum that governs the diffusion. The obtained diffusion equation is solved anal. to produce such results as
the rate of intramol. vibrational-rotational energy transfer, the rate of self-dissocn. and the survival probability of activated
ozone mols. The anal. results are in agreement with the numerical MD simulations of activated ozone mols.
[1] Y. Q.
Gao, R. A. Marcus, Science, 293, 259 (2001).https://authors.library.caltech.edu/records/xkprk-8ge33