Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones

Iustinian Bejan; Ian Barnes; Peter Wiesen; John C. Wenger

doi:10.1016/j.cplett.2015.09.010

Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones

Iustinian Bejan
, Ian Barnes
, Peter Wiesen
, John C. Wenger

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Rate coefficients for the gas-phase reaction of hydroxyl (OH) radicals with two methylated benzoquinones have been measured at atmospheric pressure over the temperature range 284-313 K using the relative rate method. The following Arrhenius expressions (in cm³ molecule^-1 s^-1) have been obtained: k_(25DMBQ) = (8.59 ± 4.70) × 10^-12exp[(228 ± 163)/T] and k_(26DMBQ) = (5.11 ± 2.79) × 10^-12exp[(399 ± 165)/T] for 2,5-dimethylbenzoquinone (2,5DMBQ) and 2,6-dimethylbenzoquinone (2,6DMBQ), respectively, with corresponding values at 298 K: k_(25DMBQ) = (2.05 ± 0.46) × 10^-11 and k_(26DMBQ) = (1.93 ± 0.12) × 10^-11. The rate coefficients are compared to those reported for similar compounds and discussed in terms of structure-activity relationships. The results are also used to calculate atmospheric lifetimes for 2,5DMBQ and 2,6DMBQ with respect to reaction with OH radicals.

Original language	English
Pages (from-to)	145-150
Number of pages	6
Journal	Chemical Physics Letters
Volume	639
DOIs	https://doi.org/10.1016/j.cplett.2015.09.010
Publication status	Published - 16 Oct 2015

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10.1016/j.cplett.2015.09.010

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@article{e646f8b5e87f4b6585bf44382d7d5056,

title = "Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones",

abstract = "Rate coefficients for the gas-phase reaction of hydroxyl (OH) radicals with two methylated benzoquinones have been measured at atmospheric pressure over the temperature range 284-313 K using the relative rate method. The following Arrhenius expressions (in cm3 molecule-1 s-1) have been obtained: k(25DMBQ) = (8.59 ± 4.70) × 10-12exp[(228 ± 163)/T] and k(26DMBQ) = (5.11 ± 2.79) × 10-12exp[(399 ± 165)/T] for 2,5-dimethylbenzoquinone (2,5DMBQ) and 2,6-dimethylbenzoquinone (2,6DMBQ), respectively, with corresponding values at 298 K: k(25DMBQ) = (2.05 ± 0.46) × 10-11 and k(26DMBQ) = (1.93 ± 0.12) × 10-11. The rate coefficients are compared to those reported for similar compounds and discussed in terms of structure-activity relationships. The results are also used to calculate atmospheric lifetimes for 2,5DMBQ and 2,6DMBQ with respect to reaction with OH radicals.",

author = "Iustinian Bejan and Ian Barnes and Peter Wiesen and Wenger, \{John C.\}",

year = "2015",

month = oct,

day = "16",

doi = "10.1016/j.cplett.2015.09.010",

language = "English",

volume = "639",

pages = "145--150",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones

AU - Bejan, Iustinian

AU - Barnes, Ian

AU - Wiesen, Peter

AU - Wenger, John C.

PY - 2015/10/16

Y1 - 2015/10/16

N2 - Rate coefficients for the gas-phase reaction of hydroxyl (OH) radicals with two methylated benzoquinones have been measured at atmospheric pressure over the temperature range 284-313 K using the relative rate method. The following Arrhenius expressions (in cm3 molecule-1 s-1) have been obtained: k(25DMBQ) = (8.59 ± 4.70) × 10-12exp[(228 ± 163)/T] and k(26DMBQ) = (5.11 ± 2.79) × 10-12exp[(399 ± 165)/T] for 2,5-dimethylbenzoquinone (2,5DMBQ) and 2,6-dimethylbenzoquinone (2,6DMBQ), respectively, with corresponding values at 298 K: k(25DMBQ) = (2.05 ± 0.46) × 10-11 and k(26DMBQ) = (1.93 ± 0.12) × 10-11. The rate coefficients are compared to those reported for similar compounds and discussed in terms of structure-activity relationships. The results are also used to calculate atmospheric lifetimes for 2,5DMBQ and 2,6DMBQ with respect to reaction with OH radicals.

AB - Rate coefficients for the gas-phase reaction of hydroxyl (OH) radicals with two methylated benzoquinones have been measured at atmospheric pressure over the temperature range 284-313 K using the relative rate method. The following Arrhenius expressions (in cm3 molecule-1 s-1) have been obtained: k(25DMBQ) = (8.59 ± 4.70) × 10-12exp[(228 ± 163)/T] and k(26DMBQ) = (5.11 ± 2.79) × 10-12exp[(399 ± 165)/T] for 2,5-dimethylbenzoquinone (2,5DMBQ) and 2,6-dimethylbenzoquinone (2,6DMBQ), respectively, with corresponding values at 298 K: k(25DMBQ) = (2.05 ± 0.46) × 10-11 and k(26DMBQ) = (1.93 ± 0.12) × 10-11. The rate coefficients are compared to those reported for similar compounds and discussed in terms of structure-activity relationships. The results are also used to calculate atmospheric lifetimes for 2,5DMBQ and 2,6DMBQ with respect to reaction with OH radicals.

UR - https://www.scopus.com/pages/publications/84942308645

U2 - 10.1016/j.cplett.2015.09.010

DO - 10.1016/j.cplett.2015.09.010

M3 - Article

AN - SCOPUS:84942308645

SN - 0009-2614

VL - 639

SP - 145

EP - 150

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones

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