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

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 <DeltaE(down)> = 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.
AuthorsBinod R Giri, Robert S Tranter
JournalThe journal of physical chemistry. A (J Phys Chem A) Vol. 111 Issue 9 Pg. 1585-92 (Mar 08 2007) ISSN: 1089-5639 [Print] United States
PMID17295454 (Publication Type: Journal Article)

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