Energy disposal in the three‐centered elimination of df from 1,1,2‐trifluoroethane‐1‐d1

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Abstract
The chemical activation data for three‐ and four‐centered hydrogen fluoride elimination from CH2FCDF2have been analyzed to assign the energy released to the olefin fragment in the three‐centered process and to estimate the threshold energies for elimination channels. Based upon thecis–transisomerization rates of CHF = CHF, 78% of the total available energy was released to the olefin fragment for the αα channel. The analysis suggests the existence of an appreciable barrier (∼10 kcal/mole) for the reverse reaction, addition of the CH2FCF carbene to DF. The threshold energies for αα, αβ, and βα elimination from 1,1,2‐trifluoroethane‐1‐d1were assigned as 71, 68, and 68 kcal/mole, respectively. Analysis of the chemical activation data for 1,1,2,2,‐tetrafluoroethane, without distinguishing between the three‐ and four‐centered elimination channels, suggests a threshold energy of ∼75 kcal/mole.

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