Measurement and estimation of rate constants for the reactions of hydroxyl radical with several alkanes and cycloalkanes

The Journal of Physical Chemistry. a
Edmond W WilsonWilliam B DeMore

Abstract

Relative rate experiments were used to measure ratios of chemical kinetics rate constants as a function of temperature for the reactions of OH with isobutane, isopentane, 2-methylpentane, 3-methylpentane, 2,3-dimethylbutane, 2,3-dimethylpentane, 2,4-dimethylpentane, 2,3,4-trimethylpentane, n-heptane, n-octane, cyclopentane, cyclohexane, and cycloheptane. The results have been used to calibrate a structure-reactivity rate constant estimation method for k(298 K) which, when combined with previously determined relationships between k(298 K) and the Arrhenius parameters, is capable of determining the temperature dependence accurately. The estimation method reproduces most of the observed rate data within experimental accuracy but appears to fail for 2,3-dimethylbutane, which has an anomalously high rate constant. Curvature in the Arrhenius plots at low temperatures is not present for compounds with a single type of C-H bond and, for compounds with different C-H bonds, is shown to be consistent with effects due to different group sites on the molecule.

Citations

Dec 24, 2011·The Journal of Chemical Physics·G PatersonP J Dagdigian
Mar 31, 2015·Inorganic Chemistry·Dominik Munz, Thomas Strassner
May 3, 2014·Environmental Science and Pollution Research International·Bernabé BallesterosJosé Albaladejo
Apr 20, 2016·Annual Review of Physical Chemistry·Maria A Tesa-SerrateKenneth G McKendrick
Dec 22, 2016·Environmental Science. Processes & Impacts·Goran Kovacevic, Aleksandar Sabljic
Jun 29, 2013·Physical Chemistry Chemical Physics : PCCP·Kerry L KingKenneth G McKendrick
Mar 17, 2011·Physical Chemistry Chemical Physics : PCCP·Carla WaringKenneth G McKendrick
Jun 16, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Antonio A Ceacero-VegaJosé Albaladejo
Aug 16, 2017·The Journal of Chemical Physics·Chia-Chieh LinNiann-Shiah Wang
Feb 21, 2019·Journal of Environmental Sciences (China)·Zhuobiao MaYujing Mu
Mar 12, 2010·The Journal of Physical Chemistry. a·Carla WaringKenneth G McKendrick
Apr 2, 2009·The Journal of Physical Chemistry. a·Michele M SprengnetherNeil M Donahue
Apr 8, 2009·The Journal of Physical Chemistry. a·R Sivaramakrishnan, J V Michael
Apr 21, 2021·Physical Chemistry Chemical Physics : PCCP·Wenqi ChenXin Zhang
Jan 25, 2020·Chemical Science·Junjun WuDonald G Truhlar
Dec 1, 2012·The Journal of Physical Chemistry. a·Michael A GennacoTimothy J Dransfield
Dec 2, 2011·The Journal of Physical Chemistry. a·Sara M AschmannRoger Atkinson
Feb 14, 2007·The Journal of Physical Chemistry. a·Edmond W WilsonWilliam B DeMore

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