Products of the gas-phase reactions of o-, m- and p-xylene with the OH radical in the presence and absence of NOx

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Abstract
The products of the gas-phase reactions of the OH radical with o-, m- and p-xylene, in the presence and absence of NO x , have been investigated using direct air sampling, atmospheric-pressure ionisation tandem mass spectrometry (API–MS). Partially and fully deuteriated xylenes were also studied. In addition to ion peaks due to tolualdehydes and dimethylphenols, ion peaks observed from the xylene, [ 2 H 6 ]xylene and [ 2 H 10 ]xylene reactions are attributed to the [M+H] + ions of the C 4 -unsaturated dicarbonyl HC(O)CHCHCHO, C 5 -unsaturated dicarbonyls such as CH 3 C(O)CHCHCHO and its isomers, C 6 -unsaturated dicarbonyls such as CH 3 C(O)CHCHC(O)CH 3 and its isomers, C 8 -di-unsaturated dicarbonyls such as CH 3 C(O)C(CH 3 )CHCHCHCHO and its isomers, C 8 -unsaturated epoxy-dicarbonyls and, possibly, C 8 -epoxy-cyclohexenones, and their partially and fully deuteriated analogues. Possible reaction mechanisms leading to the observed products are presented.

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