Article Dans Une Revue Journal of Physical Chemistry A Année : 2025

Hydration of 3-Methyl-1,2,3-butanetricarboxylic Acid (MBTCA) Evidenced by Matrix-Isolation Infrared Spectroscopy

Résumé

Hydration mechanism of 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA), a relevant marker of secondary organic aerosol formation from the atmospheric oxidation of -pinene, has been investigating using matrix isolation infrared spectroscopy technique. The experimental results were supported by theoretical calculations. Monomers of MBTCA and heterocomplexes MBTCA-n(H2O) were identified. The presence of intramolecularly H-bonded monomers was experimentally identified in accordance with the calculations. Hetero-complexes i.e., aggregates with water, were found much more stable than homo complexes. The results clearly demonstrate the affinity of MBTCA carboxylic functions for water molecules and thus, its ability to form H-bond network leading to the solvation of the molecule. This is the first experimental observation evidencing the primary hydration stages of one relevant marker of SOA (Secondary Organic Aerosols) formation and ageing. Although fundamental, such a molecular study helps in a better understanding of critical steps in cloud condensation nuclei formation.
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jeudi 24 juillet 2025
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Dates et versions

hal-04901526 , version 1 (27-01-2025)

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Stéphane Coussan, Christian Aupetit, Joëlle Mascetti, Eric Villenave, Sophie Sobanska. Hydration of 3-Methyl-1,2,3-butanetricarboxylic Acid (MBTCA) Evidenced by Matrix-Isolation Infrared Spectroscopy. Journal of Physical Chemistry A, 2025, ⟨10.1021/acs.jpca.4c06743⟩. ⟨hal-04901526⟩
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