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.
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Authors | Binod R Giri, Robert S Tranter |
Journal | The 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 |
PMID | 17295454
(Publication Type: Journal Article)
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