Degradation mechanism of 2-fluoropropene by Cl atoms: experimental and theoretical products distribution studies

Abstract

The gas-phase reaction products of 2-fluoropropene (2FP) with Cl atoms has been determined for the first time at 298 K and atmospheric pressure using a 1080 L quartz-glass photoreactor coupled...

Mechanistic study of the complex photooxidation of allyl methyl sulfide (AMS): reaction paths and products of addition under different atmospheric conditions

“…4) which is slightly less stable than the former, similarly to what was reported previously for the mechanism of addition of OH to 2-fluoropropene. 43 This finding is consistent with our supposition that an addition mechanism to C2 does not occur directly, but is a branch of the addition path to C1. TS1-3 is 0.3 kcal mol −1 above reactants at the M06-2X-D3/aug-cc-pVTZ level but 1.4 and 1.9 kcal mol −1 below them at the MN15/aug-cc-pVTZ and SVECV-f12 levels of theory, respectively.…”