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Updated: Sep 13, 2025

Analyzing the Photo-oxidation of 2-propanol at Indoor Air Level Concentrations Using Field Asymmetric Ion Mobility Spectrometry
Published on: June 14, 2018
HO2 radical, a crucial sink of furfural in the atmosphere
Philips Kumar Rai1, Pradeep Kumar1
1Department of Chemistry, Malaviya National Institute of Technology Jaipur, Jaipur, 302017, India. pradeep.chy@mnit.ac.in.
Abstract:
Furfural is a crucial pollutant in the troposphere, which is emitted into the air during various industrial processes. To assess the impact of furfural on the environment, it is important to understand its sink in the troposphere. It is known that during the daytime, its major sink is OH˙; at nighttime, it is mainly degraded by NO3˙; and in coastal regions, Cl˙ contributes to the removal of furfural from the atmosphere. In the present work, we have investigated the potential of HO2˙ as a sink for furfural using quantum chemical calculations at the CCSD(T)-F12/cc-pVTZ-F12//M062X/jun-cc-pVTZ level of theory combined with Rice-Ramsperger-Kassel-Marcus theory/master equation kinetics calculations. The estimated rate constants within 190-350 K suggest that under moderate NOX (NO˙ and NO2˙) conditions, HO2˙ as a sink can compete with OH˙ in the daytime, NO3˙ at night, and Cl˙ in coastal areas.
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