Molecular-level evidence for marine aerosol nucleation of iodic acid and methanesulfonic acid

Abstract. Both iodic acid (HIO3, IA) and methanesulfonic acid (CH3S(O)2OH, MSA) have been identified by field studies as important precursors of new particle formation (NPF) in marine areas. However, the mechanism of NPF in which IA and MSA are jointly involved is still unclear. Hence, we investigated the IA-MSA nucleation system under different atmospheric conditions and uncovered the corresponding nucleating mechanism at a molecular level for the first time using quantum chemical approach and Atmospheric Cluster Dynamics Code (ACDC). The findings showed that MSA can stabilize IA clusters via both hydrogen and halogen bonds. Moreover, the joint nucleation rate of IA-MSA system is significantly higher than that of IA self-nucleation, particularly in relatively cold marine regions with sparse IA and rich MSA. For the IA-MSA nucleation mechanism, in addition to self-nucleation of IA, the IA-MSA-involved clusters can also directly participate in the nucleation process, and their contribution is particularly prominent in the polar regions with rich MSA and sparse IA. The IA-MSA nucleation mechanism revealed in this work may help to elucidate some missing sources of marine NPF.