High-temperature gas-phase chemistry of polycyclic aromatic hydrocarbons reveals many reactions that are not observed under ordinary laboratory conditions. As one such example, phenyl substituted polyaromatic hydrocarbons undergo aryl?aryl bond fragmentations under pyrolysis conditions. We envision three plausible mechanistic pathways for the C?C bond cleavages: direct homolysis (eq 1), hydrogen atom attachment (eq 2), and a benzyne extrusion process (eq 3). Both experimental and theoretical mechanistic investigations on the fragmentations will be presented.

Mechanistic investigations of aryl?aryl bond fragmentation reactions

243rd National Meeting (2012)

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