Atmospheric oxidation of fluorinated ethers, E143a (CF3OCH3), E134 (CHF2OCHF2), and E125 (CHF2OCF3)

Citation
Da. Good et al., Atmospheric oxidation of fluorinated ethers, E143a (CF3OCH3), E134 (CHF2OCHF2), and E125 (CHF2OCF3), J PHYS CH A, 103(46), 1999, pp. 9230-9240
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
46
Year of publication
1999
Pages
9230 - 9240
Database
ISI
SICI code
1089-5639(19991118)103:46<9230:AOOFEE>2.0.ZU;2-C
Abstract
The atmospheric oxidation mechanisms of E143a (CF,OCH,), E134 (CHF2OCHF2), and E125 (CHF2OCF3) have been investigated using experimental and ab initio methodology. The oxidation of E143a produces the stable reservoir species trifluoromethyl formate, CF3OCOH, which further oxidizes to CF2O and CO2. O xidation of E134 and E125 shows the presence of only CF2O under the conditi on of high O-2 concentrations. Carbonyl fluoride can be formed from two com peting pathways involving the halogenated alkyl radicals formed from hydrog en abstraction of E134 and E125. CO bond fission reactions and O-2 addition reactions compete to produce carbonyl fluoride and a CFxH3-x radical fragm ent. Computational modeling of the reaction pathways provides insight into the molecular steps of the degradation process.