https://pubs.acs.org/doi/10.1021/jacs.1c10153

Photochemistry of HOSO2 and SO3 and Implications for the Production of
Sulfuric Acid

Javier Carmona-García, Tarek Trabelsi, Antonio Francés-Monerris, Carlos A.
Cuevas, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán, and Joseph S. Francisco

*Abstract*
Sulfur trioxide (SO3) and the hydroxysulfonyl radical (HOSO2) are two key
intermediates in the production of sulfuric acid (H2SO4) on Earth’s
atmosphere, one of the major components of acid rain. Here, the
photochemical properties of these species are determined by means of
high-level quantum chemical methodologies, and the potential impact of
their light-induced reactivity is assessed within the context of the
conventional acid rain generation mechanism. Results reveal that the
photodissociation of HOSO2 occurs primarily in the stratosphere through the
ejection of hydroxyl radicals (•OH) and sulfur dioxide (SO2). This may
decrease the production rate of H2SO4 in atmospheric regions with low O2
concentration. In contrast, the photostability of SO3 under stratospheric
conditions suggests that its removal efficiency, still poorly understood,
is key to assess the H2SO4 formation in the upper atmosphere.

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