IR/UV Double Resonance Study of the 2-Phenylallyl Radical and its Pyrolysis Products

Tobias Preitschopf; Floriane Sturm; Iuliia Stroganova; Alexander K. Lemmens; Anouk M. Rijs; Ingo Fischer

doi:10.1002/chem.202202943

IR/UV Double Resonance Study of the 2-Phenylallyl Radical and its Pyrolysis Products

Tobias Preitschopf, Floriane Sturm, Iuliia Stroganova, Alexander K. Lemmens, Anouk M. Rijs, Ingo Fischer^*

^*Corresponding author for this work

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Isolated 2-phenylallyl radicals (2-PA), generated by pyrolysis from a nitrite precursor, have been investigated by IR/UV ion dip spectroscopy using free electron laser radiation. 2-PA is a resonance-stabilized radical that is considered to be involved in the formation of polycyclic aromatic hydrocarbons (PAH) in combustion, but also in interstellar space. The radical is identified based on its gas-phase IR spectrum. Furthermore, a number of bimolecular reaction products are identified, showing that the self-reaction as well as reactions with unimolecular decomposition products of 2-PA form several PAH efficiently. Possible mechanisms are discussed and the chemistry of 2-PA is compared with the one of the related 2-methylallyl and phenylpropargyl radicals.

Original language	English
Article number	e202202943
Journal	Chemistry - A European Journal
Volume	29
Issue number	13
Early online date	8 Dec 2022
DOIs	https://doi.org/10.1002/chem.202202943
Publication status	Published - 1 Mar 2023

Bibliographical note

Funding Information:
This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB‐EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. 2

Funding Information:
This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of 2 at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL.

Publisher Copyright:
© 2022 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.

Funding

This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB‐EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. 2 This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of 2 at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL.

Funders	Funder number
Swiss Light Source
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
Deutsche Forschungsgemeinschaft
Rosa Luxemburg Stiftung
Horizon 2020
Horizon 2020 Framework Programme	654148

Keywords

free electron laser
free jet
IR spectroscopy
PAH formation
radical reactions

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title = "IR/UV Double Resonance Study of the 2-Phenylallyl Radical and its Pyrolysis Products",

abstract = "Isolated 2-phenylallyl radicals (2-PA), generated by pyrolysis from a nitrite precursor, have been investigated by IR/UV ion dip spectroscopy using free electron laser radiation. 2-PA is a resonance-stabilized radical that is considered to be involved in the formation of polycyclic aromatic hydrocarbons (PAH) in combustion, but also in interstellar space. The radical is identified based on its gas-phase IR spectrum. Furthermore, a number of bimolecular reaction products are identified, showing that the self-reaction as well as reactions with unimolecular decomposition products of 2-PA form several PAH efficiently. Possible mechanisms are discussed and the chemistry of 2-PA is compared with the one of the related 2-methylallyl and phenylpropargyl radicals.",

keywords = "free electron laser, free jet, IR spectroscopy, PAH formation, radical reactions",

author = "Tobias Preitschopf and Floriane Sturm and Iuliia Stroganova and Lemmens, {Alexander K.} and Rijs, {Anouk M.} and Ingo Fischer",

note = "Funding Information: This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB‐EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. 2 Funding Information: This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of 2 at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. Publisher Copyright: {\textcopyright} 2022 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.",

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AU - Preitschopf, Tobias

AU - Sturm, Floriane

AU - Stroganova, Iuliia

AU - Lemmens, Alexander K.

AU - Rijs, Anouk M.

AU - Fischer, Ingo

N1 - Funding Information: This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB‐EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. 2 Funding Information: This work was supported by the German Science Foundation, DFG, through Graduiertenkolleg research training group GRK 2112. Furthermore, the research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). We gratefully thank the FELIX staff for their experimental support, and we acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory. Floriane Sturm acknowledges a fellowship by the Rosa Luxemburg Foundation. We further acknowledge the valuable help of Marius Gerlach, Floriane Sturm and Dr. Domenik Schleier in the measurement of the TPE spectrum of 2 at the Swiss Light Source. Open Access funding enabled and organized by Projekt DEAL. Publisher Copyright: © 2022 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.

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Y1 - 2023/3/1

N2 - Isolated 2-phenylallyl radicals (2-PA), generated by pyrolysis from a nitrite precursor, have been investigated by IR/UV ion dip spectroscopy using free electron laser radiation. 2-PA is a resonance-stabilized radical that is considered to be involved in the formation of polycyclic aromatic hydrocarbons (PAH) in combustion, but also in interstellar space. The radical is identified based on its gas-phase IR spectrum. Furthermore, a number of bimolecular reaction products are identified, showing that the self-reaction as well as reactions with unimolecular decomposition products of 2-PA form several PAH efficiently. Possible mechanisms are discussed and the chemistry of 2-PA is compared with the one of the related 2-methylallyl and phenylpropargyl radicals.

AB - Isolated 2-phenylallyl radicals (2-PA), generated by pyrolysis from a nitrite precursor, have been investigated by IR/UV ion dip spectroscopy using free electron laser radiation. 2-PA is a resonance-stabilized radical that is considered to be involved in the formation of polycyclic aromatic hydrocarbons (PAH) in combustion, but also in interstellar space. The radical is identified based on its gas-phase IR spectrum. Furthermore, a number of bimolecular reaction products are identified, showing that the self-reaction as well as reactions with unimolecular decomposition products of 2-PA form several PAH efficiently. Possible mechanisms are discussed and the chemistry of 2-PA is compared with the one of the related 2-methylallyl and phenylpropargyl radicals.

KW - free electron laser

KW - free jet

KW - IR spectroscopy

KW - PAH formation

KW - radical reactions

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IS - 13

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ER -

IR/UV Double Resonance Study of the 2-Phenylallyl Radical and its Pyrolysis Products

Abstract

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Keywords

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