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The reactions of the Criegee intermediate CH 3 CHOO in the gas‐phase ozonolysis of 2‐butene isomers
Author(s) -
Horie Osamu,
Neeb Peter,
Moortgat Geert K.
Publication year - 1997
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(1997)29:6<461::aid-kin8>3.0.co;2-s
Subject(s) - ozonide , chemistry , ozonolysis , propene , 2 butene , allene , double bond , ozone , photochemistry , cis–trans isomerism , infrared spectroscopy , reagent , medicinal chemistry , organic chemistry , catalysis
Ozonolysis of cis‐ and trans‐2‐butene isomers were carried out in a 570 l spherical glass vessel in 730 torr synthetic air at 295 ± 3 K. The initial concentrations were 5 to 10 ppmv for the isomers and 2 to 5 ppmv for ozone. Quantitative yields were determined by FTIR spectroscopy for CH 3 CHO, HCHO, CH 4 , CH 3 OH, CO, and CO 2 . By means of computational subtraction of the spectral contribution of the identified products from the product spectra, residual spectra have been obtained. Formation of 2‐butene ozonide, propene ozonide, and l‐hydroperoxyethyl formate CH 3 CH(OOH)(SINGLE BOND)O(SINGLE BOND)CH(O) have been identified in the residual spectra. These products have been shown to be formed in the reactions of the Criegee intermediate CH 3 CHOO with CH 3 CHO, HCHO, and HCOOH, respectively. Mechanistic implications and atmospheric relevance of these observations are discussed. © 1997 John Wiley & Sons, Inc. Int J Chem Kinet 29: 461–468, 1997.