Molecular rearrangement of bicyclic peroxy radicals is a key route to aerosol from aromatics

Siddharth Iyer, Avinash Kumar, Anni Savolainen, Shawon Barua, Christopher Daub, Lukas Pichelstorfer, Pontus Roldin, Olga Garmash, Prasenjit Seal, Theo Kurtén, Matti Rissanen

Tutkimustuotos: ArtikkeliScientificvertaisarvioitu

1 Lataukset (Pure)

Abstrakti

The oxidation of aromatics contributes significantly to the formation of atmospheric aerosol. Using toluene as an example, we demonstrate the existence of a molecular rearrangement channel in the oxidation mechanism. Based on both flow reactor experiments and quantum chemical calculations, we show that the bicyclic peroxy radicals (BPRs) formed in OH-initiated aromatic oxidation are much less stable than previously thought, and in the case of the toluene derived ipso-BPRs, lead to aerosol-forming low-volatility products with up to 9 oxygen atoms on sub-second timescales. Similar results are predicted for ipso-BPRs formed from many other aromatic compounds. This reaction class is likely a key route for atmospheric aerosol formation, and including the molecular rearrangement of BPRs may be vital for accurate chemical modeling of the atmosphere.

AlkuperäiskieliEnglanti
Artikkeli4984
JulkaisuNature Communications
Vuosikerta14
Numero1
DOI - pysyväislinkit
TilaJulkaistu - 2023
OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Julkaisufoorumi-taso

  • Jufo-taso 3

!!ASJC Scopus subject areas

  • Yleinen kemia
  • Yleinen biokemia, genetiikka ja molekyylibiologia
  • Yleinen fysiikka ja tähtitiede

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