Description
Atmospheric aerosols are small atmospheric particles originating from both natural processes and human activities. One type of organic aerosol that has attracted major attention is a light absorbing component called brown carbon (BrC), which is the component of organic aerosol that absorbs light in the UV and visible spectral regions. Atmospheric aerosols have major impacts, from our health to the global climate. However, BrC is a poorly defined collection of compounds varying in physicochemical properties. The lack of physicochemical knowledge on BrC hinders accurate predictions by atmospheric models of BrC impact on climate. In this project, we use quantum chemical methods to explore the mechanisms of the NO2-radical initiated oxidation of furan compounds in the atmosphere. We also study the effect of relative water vapor on the proposed reaction pathways. We use quantum chemical methods to explore the mechanisms of the NO2-radical initiated oxidation of furan compounds in the atmosphere. These new findings deepen our understanding of the atmospheric oxidation of furan products of biomass combustion. We present data on the spectroscopic properties of furan oxidation products and intermediates, especially at night when NO3-radicals dominate over OH-radicals. Our results suggest that the presence of H2O molecules promotes a H-abstraction pathway that is unfavorable in the absence of H2O.