A new path to benzene in flames

摘要: We present a study of the unimolecular steps in pathway leading from propargyl radicals to benzene. Specifically, reactions 1,5-hexadiyne, recombination product radicals, were examined two different reactors. In atmospheric pressure flow experiments, sole at 250°–400°C was 1,2-dimethylenecyclobutene, with k/s −1 =10 11.7 exp(−35.5 kcal/RT). At 460°–550°C this isomerized benzene and fulvene, 12.9 exp(−50.0 very low all three cyclic products formed parallel. Differences experimental results originate “chemical activation” experiments. These imply that flames irreversibly generates fulvene. An analysis Westmoreland's acetylene flame data 4 indicates channel can fully account for reported rates formation. It is also consistent being first stage formation larger aromatic substances.