Ko Saito, K. Adachi, M. Watanabe
Jan 26, 1990
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Journal
Chemical Physics Letters
Abstract
Abstract The unimolecular decomposition of 3,4-dihydro-2H-pyran was investigated behind reflected shock waves by monitoring infrared absorption at 9.44 μm. The decomposition proceeded via a direct molecular process to ethylene and acrolein. The Arrhenius expression for the decomposition rate constant, k=1013.4 exp(−51.6 kcal mol−1/RT) s−1, applies in the temperature range 990–1245 K and density range (0.5–2.0) × 10−5 mol cm−3. The results are in good agreement with an extrapolation of data obtained at lower temperatures. A reasonable structure of the transition state for the lowest energy process was calculated by the SCF-MO method. The vibration mode of the transition state corresponds to the direct molecular decomposition, in support of the experimental results.