Organic compounds released into the atmosphere are commonly radicalized and oxidized to form peroxy radicals, which then go on to react with other molecules. The abundance of hydroxy radical in the troposphere makes it a prime candidate for reactions with these peroxy radicals. There are three established pathways for the reactions of acetyl peroxy radical with hydroxy radical in the atmosphere, each resulting in the production of various pollutants and oxidants. Due to the rapidity of the overall reactions and the cyclic nature of one of these pathways, the relative yields are difficult to measure in a laboratory setting. It has been ten years since the last computational study was published on these reactions, and updated computational techniques and software will provide a more accurate prediction of the relative reaction rates. The first step in modeling a reaction is to establish the relative energies of each intermediate and transition state. In addition, we have begun conformational analyses on each molecule in the reaction pathways in an effort to understand their relative stabilities and reactivities.

Investigation of oxo-subsituted peroxy radicals reacting with HO<sub>2</sub> in the atmosphere

251st National Meeting (2016)

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Investigation of oxo-subsituted peroxy radicals reacting with HO2 in the atmosphere

Investigation of oxo-subsituted peroxy radicals reacting with HO₂ in the atmosphere