Molecular mechanism for rapid autoxidation in α-pinene ozonolysis

Oxidation of volatile organic compounds leads to aerosol formation in the atmosphere, but the mechanism of some fast reactions is still unclear. The authors, using quantum chemical modelling and experiments, reveal that in key monoterpenes the cyclobutyl ring that would hinder the reactivity is brok...

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Autores principales: Siddharth Iyer, Matti P. Rissanen, Rashid Valiev, Shawon Barua, Jordan E. Krechmer, Joel Thornton, Mikael Ehn, Theo Kurtén
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de
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Sumario:Oxidation of volatile organic compounds leads to aerosol formation in the atmosphere, but the mechanism of some fast reactions is still unclear. The authors, using quantum chemical modelling and experiments, reveal that in key monoterpenes the cyclobutyl ring that would hinder the reactivity is broken in the early exothermic steps of the reaction.