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
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de
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spelling	oai:doaj.org-article:a5c1f50ac78743d481848f3b42f2f0de2021-12-02T14:26:59ZMolecular mechanism for rapid autoxidation in α-pinene ozonolysis10.1038/s41467-021-21172-w2041-1723https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de2021-02-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-21172-whttps://doaj.org/toc/2041-1723Oxidation 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.Siddharth IyerMatti P. RissanenRashid ValievShawon BaruaJordan E. KrechmerJoel ThorntonMikael EhnTheo KurténNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-6 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Siddharth Iyer Matti P. Rissanen Rashid Valiev Shawon Barua Jordan E. Krechmer Joel Thornton Mikael Ehn Theo Kurtén Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
description	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.
format	article
author	Siddharth Iyer Matti P. Rissanen Rashid Valiev Shawon Barua Jordan E. Krechmer Joel Thornton Mikael Ehn Theo Kurtén
author_facet	Siddharth Iyer Matti P. Rissanen Rashid Valiev Shawon Barua Jordan E. Krechmer Joel Thornton Mikael Ehn Theo Kurtén
author_sort	Siddharth Iyer
title	Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
title_short	Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
title_full	Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
title_fullStr	Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
title_full_unstemmed	Molecular mechanism for rapid autoxidation in α-pinene ozonolysis
title_sort	molecular mechanism for rapid autoxidation in α-pinene ozonolysis
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de
work_keys_str_mv	AT siddharthiyer molecularmechanismforrapidautoxidationinapineneozonolysis AT mattiprissanen molecularmechanismforrapidautoxidationinapineneozonolysis AT rashidvaliev molecularmechanismforrapidautoxidationinapineneozonolysis AT shawonbarua molecularmechanismforrapidautoxidationinapineneozonolysis AT jordanekrechmer molecularmechanismforrapidautoxidationinapineneozonolysis AT joelthornton molecularmechanismforrapidautoxidationinapineneozonolysis AT mikaelehn molecularmechanismforrapidautoxidationinapineneozonolysis AT theokurten molecularmechanismforrapidautoxidationinapineneozonolysis
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Molecular mechanism for rapid autoxidation in α-pinene ozonolysis

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