Journal of Physical Chemistry p. 2210 - 2216 (1992)
Update date:2022-08-30
Topics:
Holmes, Bert E.
Rakestraw, David J.
A treshold energy barrier of 29 +/- 4 kcal/mol was estimated for the 1,2-fluorine migration reaction converting 1,1,1-trifluoromethylcarbene, CF3CH, into CF2=CHF in the gas phase.The CF3CH was formed by the 1,1-elimination of HCl from chemically activated CF3CH2Cl containing 97.5 kcal/mol of internal energy.RRKM theory was used to calculate rate constants for the 1,2-fluorine shift that were fitted to the experimental pressure dependence to determine the threshold barrier.
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