Peroxy radical isomerization in the oxidation of isoprene
نویسندگان
چکیده
منابع مشابه
Peroxy radical isomerization in the oxidation of isoprene.
We report experimental evidence for the formation of C(5)-hydroperoxyaldehydes (HPALDs) from 1,6-H-shift isomerizations in peroxy radicals formed from the hydroxyl radical (OH) oxidation of 2-methyl-1,3-butadiene (isoprene). At 295 K, the isomerization rate of isoprene peroxy radicals (ISO2•) relative to the rate of reaction of ISO2• + HO2 is k(isom)(295)/(k(ISO2•+HO2)(295)) = (1.2 ± 0.6) x 10(...
متن کاملIsoprene Peroxy Radical Dynamics.
Approximately 500 Tg of 2-methyl-1,3-butadiene (isoprene) is emitted by deciduous trees each year. Isoprene oxidation in the atmosphere is initiated primarily by addition of hydroxyl radicals (OH) to C4 or C1 in a ratio 0.57 ± 0.03 (1σ) to produce two sets of distinct allylic radicals. Oxygen (O2) adds to these allylic radicals either δ (Z or E depending on whether the allylic radical is cis or...
متن کاملElectronic Supporting Information (ESI) Peroxy radical isomerization in the oxida- tion of isoprene
We estimate the CIMS sensitivity for the hydroxyhydroperoxides (ISOPOOH) and hydroperoxyaldehydes (HPALD) from the ion-molecule collision rate, calculated using the parameterization of Su and Chesnavich [1]. This requires knowledge of the average dipole moment and polarizibility of the neutral species. We obtain these parameters for the species of interest from ab initio calulations. For accura...
متن کاملPeroxy radical chemistry and OH radical production during the NO3-initiated oxidation of isoprene
Peroxy radical reactions (RO2 + RO2) from the NO3-initiated oxidation of isoprene are studied with both gas chromatography and a chemical ionization mass spectrometry technique that allows for more specific speciation of products than in previous studies of this system. We find high nitrate yields (∼ 80 %), consistent with other studies. We further see evidence of significant hydroxyl radical (...
متن کاملHOx Radical Regeneration in Isoprene Oxidation via Peroxy Radical Isomerisation. II: Experimental Evidence and Global Impact - Electronic Supporting Information (ESI) -
p. 2: Revised isoprene oxidation mechanism for low to moderate NOx conditions as proposed earlier (Peeters et al., PCCP, 2009), with 303 K rate coefficients from first principles; Figs. S1 and S2 p. 3: Temperature-dependent rate coefficient expressions for the unimolecular reactions of isoprene hydroxyperoxy radicals, T = 280 to 320 K, as used in this work; Table S1 p. 4: Effects of allyl-stabi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2011
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c1cp21330j