Characterization of the 1,1-HF Elimination Reaction from the Competition between the 1,1-HF and 1,2-DF Unimolecular Elimination Reactions of CD3CD2CHF2.

@article{Wormack2015CharacterizationOT,
  title={Characterization of the 1,1-HF Elimination Reaction from the Competition between the 1,1-HF and 1,2-DF Unimolecular Elimination Reactions of CD3CD2CHF2.},
  author={Leah N. Wormack and Meghan E McGreal and Corey E McClintock and George L. Heard and Donald W Setser and Bert E Holmes},
  journal={The journal of physical chemistry. A},
  year={2015},
  volume={119 17},
  pages={3887-96}
}
The recombination of CHF2 and C2D5 radicals was used to produce CD3CD2CHF2* molecules with 96 kcal mol(-1) of vibrational energy in a room temperature bath gas. The formation of CD3CD═CHF and CD3CD═CDF was used to identify the 1,2-DF and 1,1-HF unimolecular elimination channels; CD3CD═CDF is formed by isomerization of the singlet-state CD3CD2CF carbene. The total unimolecular rate constant is 1.6 × 10(6) s(-1), and the branching ratio for 1,1-HF elimination is 0.25. Threshold energies of 64 ± 2… CONTINUE READING
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