Summary Areas for Future Work

Although many advances have been made in understanding the tropospheric reactions of anthropogenic aromatic compounds, additional work is clearly needed. Specific areas of foci for future closely coordinated computational and laboratory-based studies are in the areas of  

As indicated previously, computational studies have indicated the importance of OH addition to multiple positions on a methylbenzene ring. To further characterize the importance of OH addition to each position, computational chemistry studies that further probe the potential products of addition to all positions (including the ipso position) are needed. Specifically, potential pathways that lead to the generation of ring-retained products that may preferentially form low volatility gas-phase products that partition to form aerosols should be probed. 

Mechanisms of Atmospheric Oxidation of Aromatic Hydrocarbons, Oxford University Press, New York, 2002. 

Quantum Studies of Intermolecular Dimer Formation and Intramolecular Dynamics 

Glauciete S. Macief, David Cappelletti, Gaia Grossi Fernando Pirani and Vincenzo Aquilanti  

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