Carbenium ion-mediated oligomerization of methylglyoxal for secondary organic aerosol formation.

ABSTRACT: Secondary organic aerosol (SOA) represents a major constituent of tropospheric fine particulate matter, with profound implications for human health and climate. However, the chemical mechanisms leading to SOA formation remain uncertain, and atmospheric models consistently underpredict the global SOA budget. Small α-dicarbonyls, such as methylglyoxal, are ubiquitous in the atmosphere because of their significant production from photooxidation of aromatic hydrocarbons from traffic and industrial sources as well as from biogenic isoprene. Current experimental and theoretical results on the roles of methylglyoxal in SOA formation are conflicting. Using quantum chemical calculations, we show cationic oligomerization of methylglyoxal in aqueous media. Initial protonation and hydration of methylg

SUBMITTER: Ji Y 

PROVIDER: S-EPMC7306812 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature