An Experimental Estimate of the Threshold Barrier for the 1,2-Fluorine Atom Migration in 1,1,1-Trifluoromethylcarbene

Article abstract of DOI:10.1021/j100184a034

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.