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The thermal unimolecular decomposition of 3,4-dihydro-2H-pyran behind reflected shock waves

✍ Scribed by K. Saito; K. Adachi; M. Watanabe; K. Shimofuji; A. Imamura

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 285 KB
Volume: 165
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)85444-h

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✦ Synopsis

The unimolecular decomposition of 3,4dihydro-2H-pyran was investigated behind reflected shock waves by monitoring infrared absorption at 9.44 pm. The decomposition proceeded via a direct molecular process to ethylene and acrolein. The Arrhenius expression for the decomposition rate constant, k= IO"-exp( -51.6 kcal mol-'/RT) s-', applies in the temperature range 990-1245 K and density range (0.5-2.0)x IO-' mol cmm3. 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,

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