✦ LIBER ✦

An examination of the reaction pathways for the recombination of FCO radicals

✍ Scribed by Yao Zhao; J.S. Francisco

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 402 KB
Volume: 199
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)80050-l

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✦ Synopsis

Pathways for the reaction of FCO+FCO on the ground state potential energy surface have been studied by using ab initio methods. Heats of reaction and barrier heights have been computed by using Moller-Plesset perturbation theory. The reaction of FCO t FCO has been found to form F2C202 molecule as an intermediate which subsequently dissociates to form F&O and CO. Since the exothermicitv for the overall reaction is much larger than the barrier for the dissociation of F2Cz02. the reaction to produce FrCO t CO should be rapid.

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