The isomer distribution of C 6 H 6 products from the propargyl radical gas-phase recombination investigated by threshold-photoelectron spectroscopy.

Autor: Hrodmarsson HR; Synchrotron SOLEIL, L'Orme des Merisiers, St. Aubin, F-91192, Gif sur Yvette, France. hhrodmarsson@lisa.ipsl.fr.; Univ Paris Est Créteil and Université Paris Cité, CNRS, LISA UMR 7583, 94010, Créteil, France. hhrodmarsson@lisa.ipsl.fr., Garcia GA; Synchrotron SOLEIL, L'Orme des Merisiers, St. Aubin, F-91192, Gif sur Yvette, France., Bourehil L; Synchrotron SOLEIL, L'Orme des Merisiers, St. Aubin, F-91192, Gif sur Yvette, France., Nahon L; Synchrotron SOLEIL, L'Orme des Merisiers, St. Aubin, F-91192, Gif sur Yvette, France., Gans B; Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, F-91405, Orsay, France., Boyé-Péronne S; Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, F-91405, Orsay, France., Guillemin JC; Univ Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS, ISCR - UMR6226, F-35000, Rennes, France., Loison JC; Institut des Sciences Moléculaires, CNRS, Université de Bordeaux, F-33400, Talence, France. jean-christophe.loison@cnrs.fr.
Jazyk: angličtina
Zdroj: Communications chemistry [Commun Chem] 2024 Jul 12; Vol. 7 (1), pp. 156. Date of Electronic Publication: 2024 Jul 12.
DOI: 10.1038/s42004-024-01239-7
Abstrakt: The resonance-stabilization of the propargyl radical (C 3 H 3 ) makes it among the most important reactive intermediates in extreme environments and grants it a long enough lifetime to recombine in both terrestrial combustion media and cold molecular clouds in space. This makes the propargyl self-reaction a pivotal step in the formation of benzene, the first aromatic ring, to eventually lead to polycyclic aromatic hydrocarbons in a variety of environments. In this work, by producing propargyl radicals in a flow tube where propyne reacted with F atoms and probing the reaction products by mass-selected threshold-photoelectron spectroscopy (TPES), we identified eight C 6 H 6 products in total, including benzene. On top of providing the first comprehensive measurements of the branching ratios of the eight identified C 6 H 6 isomers in the propargyl self reaction products (4 mbar, 298 K conditions), this study also highlights the advantages and disadvantages of using isomer-selective TPES to identify and quantify reaction products.
(© 2024. The Author(s).)
Databáze: MEDLINE
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