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Kinetics of the gas‐phase reactions of OH radicals with a series of trimethylphenols
Author(s) -
Bejan Iustinian,
Schürmann Anna,
Barnes Ian,
Benter Thorsten
Publication year - 2012
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/kin.20618
Subject(s) - chemistry , reactivity (psychology) , radical , benzene , kinetics , phenol , gas phase , medicinal chemistry , analytical chemistry (journal) , photochemistry , organic chemistry , medicine , physics , alternative medicine , pathology , quantum mechanics
Abstract The kinetics of the reactions of hydroxyl (OH) radicals with 2,3,5‐trimethylphenol (235TMP), 2,3,6‐trimethylphenol (236TMP), 2,4,5‐trimethylphenol (245TMP), 2,4,6‐trimethylphenol (246TMP), and 3,4,5‐trimethylphenol (345TMP) have been investigated at 298 ± 2 K and atmospheric pressure of air using a relative rate method. The experiments were performed in a 1080 L volume photoreactor using in situ FTIR analysis to monitor the decay of the trimethylphenols and the reference compounds. The following rate coefficients (in cm 3 molecule −1 s −1 ) were obtained at 298 ± 2 K and 1 atm of air: k (235TMP) = (1.48 ± 0.42) × 10 −10 ; k (236TMP) = (1.35 ± 0.39) × 10 −10 ; k (245TMP) = (1.23 ± 0.48) × 10 −10 ; k (246TMP) = (1.67 ± 0.48) × 10 −10 ; k (345TMP) = (1.55 ± 0.43) × 10 −10 . The present kinetic data are discussed in terms of OH addition reactivity trends, and comparisons are made with the reactivity trends observed for successive methylation of benzene and phenol and successive hydroxylation of benzene. © 2011 Wiley Periodicals, Inc. Int J Chem Kinet 44: 117–124, 2012