Reactions of CF3 radicals with benzotrifluoride and the C—H bond strength in C6H5CF3 and C6H6

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dc.contributor.authorBérces, T.
dc.contributor.authorMárta, F.
dc.contributor.authorSzilágyi, I.
dc.date.accessioned2025-02-08T02:45:57Z
dc.date.available2025-02-08T02:45:57Z
dc.date.issued1972
dc.description.abstractThe reactions of CF3 with benzotrifluoride (BTF) were studied at 1029, 1070 and 1132 K. The RCF3H/R½C2F6[BTF] ratio was found to decrease with increasing benzotrifluoride pressure, which was interpreted as simultaneous formation of C2F6 by CF3 recombination and an inversion reaction between CF3 and C6H5CF3. From experiments in the absence and presence of hydrogen, we obtained log(k2/l. mol–1 s–1)=(9.1 ± 0.3)–(9.4 ± 1.2)/θ and log(k7/l. mol–1 s–1)=(8.7 ± 0.1)–(9.3 ± 0.1)/θ, (θ= 2.303 RT/kcal mol–1) for the rate coefficients of H-abstraction by CF3 from C6H5CF3 and H2, respectively. Hence we obtained, with an assumed value for the activation energy of step (–2), D°(CF3C6H4—H)= 109.0 ± 2.5 kcal mol–1. CF3H + C6H4CF3→ CF3+ C6H5CF3(–2).en_US
dc.identifier.urihttp://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/17380
dc.language.isoenen_US
dc.publisherJournal of the Chemical Society : Faraday Transaction - I. The Chemical Society, London. 1972, 68 (5)en_US
dc.subjectChemistryen_US
dc.subjectCF₃ Radicalsen_US
dc.subjectBenzotrifluoride Reactionsen_US
dc.subjectC—H Bond Strengthen_US
dc.subjectComparative Bond Energiesen_US
dc.subjectJournal of the Chemical Society : Faraday Transaction - Ien_US
dc.titleReactions of CF3 radicals with benzotrifluoride and the C—H bond strength in C6H5CF3 and C6H6en_US
dc.typeArticleen_US

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