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Unexpected benzene oxidation in collisions with superoxide anions

Superoxide anions colliding with benzene molecules at impact energies from 200 to 900 eV are reported for the first time to form massive complexes. With the aid of quantum chemistry calculations, we propose a mechanism in which a sudden double ionization of benzene and the subsequent electrostatic a...

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Autores principales: Guerra, Carlos, Kumar, Sarvesh, Aguilar-Galindo, Fernando, Díaz-Tendero, Sergio, Lozano, Ana I., Mendes, Mónica, Limão-Vieira, Paulo, García, Gustavo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8633363/
https://www.ncbi.nlm.nih.gov/pubmed/34848760
http://dx.doi.org/10.1038/s41598-021-02408-7
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author Guerra, Carlos
Kumar, Sarvesh
Aguilar-Galindo, Fernando
Díaz-Tendero, Sergio
Lozano, Ana I.
Mendes, Mónica
Limão-Vieira, Paulo
García, Gustavo
author_facet Guerra, Carlos
Kumar, Sarvesh
Aguilar-Galindo, Fernando
Díaz-Tendero, Sergio
Lozano, Ana I.
Mendes, Mónica
Limão-Vieira, Paulo
García, Gustavo
author_sort Guerra, Carlos
collection PubMed
description Superoxide anions colliding with benzene molecules at impact energies from 200 to 900 eV are reported for the first time to form massive complexes. With the aid of quantum chemistry calculations, we propose a mechanism in which a sudden double ionization of benzene and the subsequent electrostatic attraction between the dication and the anion form a stable covalently bonded C(6)H(6)O(2)(+) molecule, that evolves towards the formation of benzene-diol conformers. These findings lend support to a model presenting a new high energy anion-driven chemistry as an alternative way to form complex molecules.
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spelling pubmed-86333632021-12-03 Unexpected benzene oxidation in collisions with superoxide anions Guerra, Carlos Kumar, Sarvesh Aguilar-Galindo, Fernando Díaz-Tendero, Sergio Lozano, Ana I. Mendes, Mónica Limão-Vieira, Paulo García, Gustavo Sci Rep Article Superoxide anions colliding with benzene molecules at impact energies from 200 to 900 eV are reported for the first time to form massive complexes. With the aid of quantum chemistry calculations, we propose a mechanism in which a sudden double ionization of benzene and the subsequent electrostatic attraction between the dication and the anion form a stable covalently bonded C(6)H(6)O(2)(+) molecule, that evolves towards the formation of benzene-diol conformers. These findings lend support to a model presenting a new high energy anion-driven chemistry as an alternative way to form complex molecules. Nature Publishing Group UK 2021-11-30 /pmc/articles/PMC8633363/ /pubmed/34848760 http://dx.doi.org/10.1038/s41598-021-02408-7 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Guerra, Carlos
Kumar, Sarvesh
Aguilar-Galindo, Fernando
Díaz-Tendero, Sergio
Lozano, Ana I.
Mendes, Mónica
Limão-Vieira, Paulo
García, Gustavo
Unexpected benzene oxidation in collisions with superoxide anions
title Unexpected benzene oxidation in collisions with superoxide anions
title_full Unexpected benzene oxidation in collisions with superoxide anions
title_fullStr Unexpected benzene oxidation in collisions with superoxide anions
title_full_unstemmed Unexpected benzene oxidation in collisions with superoxide anions
title_short Unexpected benzene oxidation in collisions with superoxide anions
title_sort unexpected benzene oxidation in collisions with superoxide anions
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8633363/
https://www.ncbi.nlm.nih.gov/pubmed/34848760
http://dx.doi.org/10.1038/s41598-021-02408-7
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