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Guaiacol Nitration in a Simulated Atmospheric Aerosol with an Emphasis on Atmospheric Nitrophenol Formation Mechanisms

Authors
  • Kroflič, Ana
  • Anders, Janine
  • Drventić, Ivana
  • Mettke, Peter
  • Böge, Olaf
  • Mutzel, Anke
  • Kleffmann, Jörg
  • Herrmann, Hartmut
Type
Published Article
Journal
ACS Earth & Space Chemistry
Publisher
American Chemical Society
Publication Date
Apr 12, 2021
Volume
5
Issue
5
Pages
1083–1093
Identifiers
DOI: 10.1021/acsearthspacechem.1c00014
PMID: 34084985
PMCID: PMC8161671
Source
PubMed Central
Keywords
Disciplines
  • Article
License
Unknown

Abstract

Atmospheric nitrophenols are pollutants of concern due to their toxicity and light-absorption characteristics and their low reactivity resulting in relatively long residence times in the environment. We investigate multiphase nitrophenol formation from guaiacol in a simulated atmospheric aerosol and support observations with the corresponding chemical mechanisms. The maximal secondary organic aerosol (SOA) yield (42%) is obtained under illumination at 80% relative humidity. Among the identified nitrophenols, 4-nitrocatechol (3.6% yield) is the prevailing species in the particulate phase. The results point to the role of water in catechol and further 4-nitrocatechol formation from guaiacol. In addition, a new pathway of dark nitrophenol formation is suggested, which prevailed in dry air and roughly yielded 1% nitroguaiacols. Furthermore, the proposed mechanism possibly leads to oligomer formation via a phenoxy radical formation by oxidation with HONO.

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