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Intersystem Crossings Drive Atmospheric Gas-Phase Dimer Formation
[component]
unpublished
High-molecular weight "ROOR'" dimers, likely formed in the gas phase through self-and cross-reactions of complex peroxy radicals (RO2), have been suggested to play a key role in forming ultrafine aerosol particles in the atmosphere. However, the molecular-level reaction mechanism producing these dimers remains unknown. Using multireference quantum chemical methods, we explore one potentially competitive pathway for ROOR' production, involving the initial formation of triplet alkoxy radical (RO)
doi:10.1021/acs.jpca.9b02559.s001
fatcat:3vxvxpsevvaz5og2yr4h6o7fwi