Reactions of NO 3 with aromatic aldehydes: gas-phase kinetics and insights into the mechanism of the reaction

Ren, Yangang; Zhou, Li; Mellouki, Abdelwahid; Daële, Véronique; Idir, Mahmoud; Brown, Steven S.; Ruscic, Branko; Paton, Robert S.; McGillen, Max R.; Ravishankara, A. R.

Rate coefficients for the reaction of NOinline-formula3 radicals with a series of aromatic aldehydes were measured in a 7300 L simulation chamber at ambient temperature and pressure by relative and absolute methods. The rate coefficients for benzaldehyde (BA), ortho-tolualdehyde (O-TA), meta-tolualdehyde (M-TA), para-tolualdehyde (P-TA), 2,4-dimethyl benzaldehyde (2,4-DMBA), 2,5-dimethyl benzaldehyde (2,5-DMBA) and 3,5-dimethyl benzaldehyde (3,5-DMBA) were inline-formulak1= 2.6 inline-formula± 0.3, inline-formulak2= 8.7 inline-formula± 0.8, inline-formulak3= 4.9 inline-formula± 0.5, inline-formulak4= 4.9 inline-formula± 0.4, inline-formulak5= 15.1 inline-formula± 1.3, inline-formulak6= 12.8 inline-formula± 1.2 and inline-formulak7= 6.2 inline-formula± 0.6, respectively, in the units of 10inline-formula−15 cminline-formula3 molec.inline-formula−1 sinline-formula−1 at 298 inline-formula± 2 K. The rate coefficient inline-formulak13 for the reaction of the NOinline-formula3 radical with deuterated benzaldehyde (benzaldehyde-dinline-formula1) was found to be half that of inline-formulak1. The end product of the reaction in an excess of NOinline-formula2 was measured to be Cinline-formula6Hinline-formula5C(O)Oinline-formula2NOinline-formula2. Theoretical calculations of aldehydic bond energies and reaction pathways indicate that the NOinline-formula3 radical reacts primarily with aromatic aldehydes through the abstraction of an aldehydic hydrogen atom. The atmospheric implications of the measured rate coefficients are briefly discussed.



Ren, Yangang / Zhou, Li / Mellouki, Abdelwahid / et al: Reactions of NO3 with aromatic aldehydes: gas-phase kinetics and insights into the mechanism of the reaction. 2021. Copernicus Publications.


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