An overlooked oxidation mechanism of toluene: computational predictions and experimental validations.

ABSTRACT: Secondary organic aerosols (SOAs) influence the Earth's climate and threaten human health. Aromatic hydrocarbons (AHs) are major precursors for SOA formation in the urban atmosphere. However, the revealed oxidation mechanism dramatically underestimates the contribution of AHs to SOA formation, strongly suggesting the importance of seeking additional oxidation pathways for SOA formation. Using toluene, the most abundant AHs, as a model system and the combination of quantum chemical method and field observations based on advanced mass spectrometry, we herein demonstrate that the second-generation oxidation of AHs can form novel epoxides (TEPOX) with high yield. Such TEPOX can further react with H₂SO₄ or HNO₃ in the aerosol phase to form less-volatile compound

SUBMITTER: Fu Z 

PROVIDER: S-EPMC10664553 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature