An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature

Timo T. Pekkanen; Laszlo Valkai; Satya P. Joshi; Gyorgy Lendvay; Petri Heinonen; Raimo S. Timonen; Arkke J. Eskola

doi:10.1039/d2fd00031h

An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature

Timo T. Pekkanen, Laszlo Valkai, Satya P. Joshi, Gyorgy Lendvay, Petri Heinonen, Raimo S. Timonen, Arkke J. Eskola

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	English
Journal	Faraday Discussions
Volume	238
Issue number	0
Pages (from-to)	619-644
Number of pages	26
ISSN	1359-6640
DOIs	https://doi.org/10.1039/d2fd00031h
Publication status	Published - 21 Oct 2022
MoE publication type	A1 Journal article-refereed

Fields of Science

BASIS-SET CONVERGENCE
CORRELATED CALCULATIONS
KINETICS
THERMOCHEMISTRY
PARAMETERS
MIXTURES
HYDROGEN
QUALITY
ALLYL
116 Chemical sciences

Access to Document

10.1039/d2fd00031hLicence: CC BY

d2fd00031hFinal published version, 2.77 MBLicence: CC BY
d2fd00031hFinal published version, 2.77 MBLicence: CC BY

Cite this

Pekkanen, T. T., Valkai, L., Joshi, S. P., Lendvay, G., Heinonen, P., Timonen, R. S., & Eskola, A. J. (2022). An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature. Faraday Discussions, 238(0), 619-644. https://doi.org/10.1039/d2fd00031h

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title = "An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature",

keywords = "BASIS-SET CONVERGENCE, CORRELATED CALCULATIONS, KINETICS, THERMOCHEMISTRY, PARAMETERS, MIXTURES, HYDROGEN, QUALITY, ALLYL, 116 Chemical sciences",

author = "Pekkanen, {Timo T.} and Laszlo Valkai and Joshi, {Satya P.} and Gyorgy Lendvay and Petri Heinonen and Timonen, {Raimo S.} and Eskola, {Arkke J.}",

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Pekkanen, TT, Valkai, L, Joshi, SP, Lendvay, G, Heinonen, P , Timonen, RS & Eskola, AJ 2022, 'An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature', Faraday Discussions, vol. 238, no. 0, pp. 619-644. https://doi.org/10.1039/d2fd00031h

An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules : switching from pure stabilisation to pure decomposition with increasing temperature. / Pekkanen, Timo T.; Valkai, Laszlo; Joshi, Satya P. et al.

In: Faraday Discussions, Vol. 238, No. 0, 21.10.2022, p. 619-644.

Research output: Contribution to journal › Article › Scientific › peer-review

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KW - THERMOCHEMISTRY

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KW - MIXTURES

KW - HYDROGEN

KW - QUALITY

KW - ALLYL

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