Hydration, Orientation, and Conformation of Methylglyoxal at the Air–Water Interface

摘要: Aqueous-phase processing of methylglyoxal (MG) has been suggested to constitute an important source secondary organic aerosol (SOA). The uptake MG aqueous particles is higher than expected because its carbonyl moieties can hydrate form geminal diols, as well and hydration products undergo aldol condensation reactions larger oligomers in solution. known be surface active, but improved description behavior crucial understanding MG-SOA formation. These studies investigate adsorption, focusing on state at the air–water interface, using a combined experimental theoretical approach that involves vibrational sum frequency spectroscopy, molecular dynamics simulations, density functional theory calculations. Together, data show exists predominantly singly hydrated (diol) with diol–tetrol ratio for bulk. In add...