The reaction of atomic hydrogen with the CHF radical has been examined using coupled-cluster ab initio methods. The heats of formation for both CHF and CH2F radicals have been examined using isodesmic reaction schemes. The best estimate of the heats of formation are 36.5±3 and −4.5±3 kcal mol−1, respectively. For the CHF+H reaction, there are two pathways for the formation of each of the products (CH+HF and CF+H2). The lowest energetic pathway appears to proceed by an association–elimination mechanism, which is consistent with results from experiments. The reaction channels leading to the products (CH+HF and CF+H2) via the CH2F intermediate proceed without a barrier relative to the CHF+H reactants.

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