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  Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8.

Cobos, C. J., Hintzer, K., Sölter, L., Tellbach, E., Thaler, A., & Troe, J. (2015). Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8. Physical Chemistry Chemical Physics, 17(48), 32219-32224. doi:10.1039/c5cp05366h.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-44CE-4 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-44D2-7
Genre: Journal Article

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Cobos, C. J., Author
Hintzer, K., Author
Sölter, L.1, Author              
Tellbach, E., Author
Thaler, A., Author
Troe, J.1, Author              
Affiliations:
1Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society, ou_578625              

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 Abstract: The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150–2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k1 = 1015.97 exp(−310.5 kJ mol−1/RT) s−1 in the range 630–1330 K, over which k1 varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.

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Language(s): eng - English
 Dates: 2015-10-262015
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1039/c5cp05366h
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Title: Physical Chemistry Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 17 (48) Sequence Number: - Start / End Page: 32219 - 32224 Identifier: -