Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.

Issue 43, 2018
Previous Article Next Article

Tropospheric oxidation of methyl hydrotrioxide (CH3OOOH) by hydroxyl radical

Author affiliations


We have employed high level theoretical methods to investigate the oxidation of methyl hydrotrioxide by hydroxyl radical, which is of interest in atmospheric chemistry research. The reaction can proceed by abstraction of either the terminal hydrogen atom of OOH group producing CH3O, O2 and H2O, or one hydrogen atom of the CH3 group forming H2CO, HO2 and H2O. The rate constants for both reactions at 298 K are computed to be 4.7 × 10−11 and 2.1 × 10−12 cm3 molecule−1 s−1, respectively, that is, the abstraction of terminal hydrogen atom of the OOH group is about 22 times faster than that of a hydrogen atom of the CH3 group. The rate constant for the overall CH3OOOH + OH reaction is computed to be 4.9 × 10−11 cm3 molecule−1 s−1. Our calculations predict branching ratios between 99.0 and 93.9% for the formation of methoxy radical plus molecular oxygen and water, and between 1.0 and 6.1% for the formation of formaldehyde plus hydroperoxyl radical and water, in the 225–325 K temperature range. The lifetime of CH3OOOH in the troposphere is predicted to range from of 1.8 hours at 225 K, up to 3.9 hours at 275 K and decreasing to 0.2 hours at 310 K. CH3OOO and CH2OOOH radicals have been also investigated.

Graphical abstract: Tropospheric oxidation of methyl hydrotrioxide (CH3OOOH) by hydroxyl radical

Back to tab navigation

Supplementary files

Publication details

The article was received on 16 Jul 2018, accepted on 10 Oct 2018 and first published on 10 Oct 2018

Article type: Paper
DOI: 10.1039/C8CP04486D
Citation: Phys. Chem. Chem. Phys., 2018,20, 27406-27417

  •   Request permissions

    Tropospheric oxidation of methyl hydrotrioxide (CH3OOOH) by hydroxyl radical

    J. M. Anglada and A. Solé, Phys. Chem. Chem. Phys., 2018, 20, 27406
    DOI: 10.1039/C8CP04486D

Search articles by author