Chamber studies show that the atmospheric fates of aromatic Cl- and OH adducts are very different.

Fourier transform infrared smog chamber techniques were used to study the kinetics and mechanisms of the reactions of Cl atoms and OH radicals with pentafluorophenol (C6F5OH) in 700 Torr total pressure of air or N2 diluent at 296 ± 2 K. Rate constants k(OH + C6F5OH) = (6.88 ± 1.37) × 10–12 cm3 molecule–1 s–1 and k(Cl + C6F5OH) = (2.52 ± 0.31) × 10–11 cm3 s–1 molecule–1 in 700 Torr air diluent were determined. In 700 Torr N2, the rate constant for the reaction of C6F5OH with Cl atoms is linearly dependent on the Cl atom concentration. Product studies on this reaction in both 700 Torr air and 700 Torr N2 diluent show the formation of nonconjugated products. The photolysis constant of C6F5OH was determined by 254 nm UV irradiation of a C6F5OH and CH3CHO mixture in 700 Torr air or N2 at 296 ± 2 K and yielded a photolysis rate constant of J(C6F5OH) = (2.83 ± 0.25) × 10–3 s–1. Results are discussed with respect to the atmospheric chemistry of other halogenated aromatic species.

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This study presents a computational investigation of geometric parameters, infrared (IR) and Raman frequencies as well as molecular Rayleigh scattering of polycyclic aromatic hydrocarbons (PAHs), used as models for subunits...