Dissociation of 1,1,1-trifluoroethane behind reflected shock waves: Shock tube/time-of-flight mass spectrometry experiments

Binod Giri, Robert S. Tranter*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

The dissociation of 1,1,1,-trifluoroethane, a potential non-RRKM reaction, has been studied at 600 and 1200 Torr and high temperatures (1500-1840 K) using a new shock tube/time-of-flight mass spectrometer (ST/TOF-MS). These data obtained by an independent method are in good agreement with the laser schlieren, LS, experiments of Kiefer et al. [J. Phys. Chem. A 2004, 108, 2443-2450] and extend the range of that experimental dataset. The data have been simulated by both standard RRKM calculations and the non-RRKM model reported by Kiefer et al. but with 〈ΔEdown〉 = 750 cm -1. Both the RRKM and non-RRKM calculations provide equally good fits to the ST/TOF-MS data. Neither model simulates the combined ST/TOF-MS and LS datasets particularly well. However, the non-RRKM model predicts a pressure dependency closer to that observed in the experiments than the RRKM model.

Original languageEnglish (US)
Pages (from-to)1585-1592
Number of pages8
JournalJournal of Physical Chemistry A
Volume111
Issue number9
DOIs
StatePublished - Mar 8 2007

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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