Peer-Reviewed Journal Details
Mandatory Fields
Moriarty, J;Wenger, JC;Sidebottom, HW
2010
December
Chemphyschem
Product Study of the OH Radical and Cl Atom Initiated Oxidation of 1,3-Dioxane
Validated
WOS: 1 ()
Optional Fields
ATMOSPHERIC CHEMISTRY GAS-PHASE HYDROXYL RADICALS ORGANIC-COMPOUNDS ALKOXY RADICALS CYCLIC ETHERS UV SPECTRA KINETICS NO GLYCOLALDEHYDE
11
3980
3986
The products of the hydroxyl (OH) radical and chlorine (Cl) atom initiated oxidation of 1,3-dioxane are determined under various reaction conditions in a 50 L teflon reaction chamber using FTIR spectroscopy for analysis. The major products detected in all experiments are (2-oxoethoxy)methyl formate, formic acid and methylene glycol diformate with average molar yields of 0.50 +/- 0.05, 0.41 +/- 0.02 and 0.03 +/- 0.01 respectively for the OH initiated oxidation in the presence of NO(x). The yields of these products do not vary significantly with O(2) partial pressure or oxidising agent (OH or Cl). However, the yield of formic acid decreased by at least a factor of two in the absence of NO(x). The results of these experiments are used to elucidate a simplified gas-phase atmospheric degradation scheme for 1,3-dioxane and also provide valuable information on the atmospheric fate of the cyclic and linear alkoxy radicals produced in these and similar reactions. The available experimental data suggests that the relative importance of the competing pathways (reaction with O(2) and ring opening by C-C or C-O bond fission) is a strong function of the ring strain in the cycloalkoxy radicals.
WEINHEIM
1439-4235
10.1002/cphc.201000503
Grant Details