Premium
OH‐Initiated Photooxidations of 1‐Pentene and 2‐Methyl‐2‐propen‐1‐ol: Mechanism and Yields of the Primary Carbonyl Products
Author(s) -
Peirone Silvina A.,
Cometto Pablo M.,
Lane Silvia I.
Publication year - 2014
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201402159
Subject(s) - methacrolein , chemistry , formaldehyde , radical , atmospheric pressure , yield (engineering) , reaction mechanism , butyraldehyde , molecule , reaction rate constant , pentene , photochemistry , catalysis , organic chemistry , kinetics , thermodynamics , physics , quantum mechanics , oceanography , monomer , geology , methacrylic acid , polymer
The products of the gas‐phase reactions of OH radicals with 1‐pentene and 2‐methyl‐2‐propen‐1‐ol (221MPO) at T =298±2 K and atmospheric pressure were investigated by using a 4500 L atmospheric simulation chamber that was built especially for this work. The molar yield of butyraldehyde was 0.74±0.12 mol for the reaction of 1‐pentene. This work provides the first product molar yield determination of formaldehyde (0.82±0.12 mol), 1‐hydroxypropan‐2‐one (0.84±0.13 mol), and methacrolein (0.078±0.012 mol) from the reaction of 221MPO with OH radicals. The mechanism of this reaction is discussed in relation to the experimental results. Additionally, taking into consideration the complex mechanism, the rate coefficients of the reactions of OH with formaldehyde, 1‐hydroxypropan‐2‐one, and methacrolein were derived at atmospheric pressure and T =298±2 K.; the obtained values were (8.9±1.6)×10 −12 , (2.4±1.4)×10 −12 , and (22.9±2.3)×10 −12 cm 3 molecule −1 s −1 , respectively.