✦ LIBER ✦

Mechanistic study of the gas-phase reaction of CH2FO2 radicals with HO2

✍ Scribed by Timothy J. Wallington; Michael D. Hurley; William F. Schneider; Jens Sehested; Ole John Nielsen

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 781 KB
Volume: 218
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)e1466-t

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✦ Synopsis

Fourier transform infrared spectroscopy was used to identify CH2FOOH and HC(O)F as products of the gas-phase reaction of CHIFOz radicals with HOs radicals. At 700 Torr and 295 + 2 K, branching ratios for the CHrFOOH forming channel, k,,/k, =0.29 f 0.08 and the HC(O)F channel, klb/kl =0.71 f 0.11 were established. Quoted errors are 2 standard deviations together with our estimate of systematic uncertainties. This result is discussed with respect to previous literature data and to computer models of atmospheric chemistry. As part of this work, the reactivity of Cl atoms towards CHrFCl and CHsFOOH was investigated, rate constants of k(Cl+CH2FC1)=(l.l+0.1)~10-'3 and k(C1+CHzFOOH)=(1.5~0.5)x10-13cm3molecule-' s-r were determined. ' Distances in A and angles in deg. b MP2/6-3lG(d, p) optimized. c UHF/6-31G(d, p) optimized. d X = H in a gauche position for CHpOzH and X = F for all other compounds.

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