Role of state specificity in the temperature- and pressure-dependent unimolecular rate constants for HO2 → H + O2 dissociation

Kihyung Song, William L. Hase

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

Recent quantum dynamical calculations have shown that HO2 dissociates via isolated resonances, which have a distribution of rate constants that is statistical state-specific and well-described by the Porter-Thomas PE(k) distribution. In the work presented here, this PE(k) distribution is incorporated into RRKM theory to see how statistical fluctuations in state-specific rate constants affect the collision-averaged chemical activation rate constant k(ω, E) and the Lindemann-Hinshelwood thermal rate constant kuni(ω, T) for HO2 dissociation. Both active and adiabatic treatments are considered for the K quantum number. The calculations suggest the effect of statistical state specificity should be detectable in measurements of k(ω, E) and kuni(ω, T).

Original languageEnglish
Pages (from-to)1292-1296
Number of pages5
JournalJournal of Physical Chemistry A
Volume102
Issue number8
DOIs
StatePublished - Feb 19 1998

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