Unexpected benzene oxidation in collisions with superoxide anions

Abstract 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 electr...

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Autores principales:	Carlos Guerra, Sarvesh Kumar, Fernando Aguilar-Galindo, Sergio Díaz-Tendero, Ana I. Lozano, Mónica Mendes, Paulo Limão-Vieira, Gustavo García
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/b84e4314d78c4cd29c9c741e1f47e26c
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spelling	oai:doaj.org-article:b84e4314d78c4cd29c9c741e1f47e26c2021-12-05T12:15:13ZUnexpected benzene oxidation in collisions with superoxide anions10.1038/s41598-021-02408-72045-2322https://doaj.org/article/b84e4314d78c4cd29c9c741e1f47e26c2021-11-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-02408-7https://doaj.org/toc/2045-2322Abstract 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 C6H6O2 + 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.Carlos GuerraSarvesh KumarFernando Aguilar-GalindoSergio Díaz-TenderoAna I. LozanoMónica MendesPaulo Limão-VieiraGustavo GarcíaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Carlos Guerra Sarvesh Kumar Fernando Aguilar-Galindo Sergio Díaz-Tendero Ana I. Lozano Mónica Mendes Paulo Limão-Vieira Gustavo García Unexpected benzene oxidation in collisions with superoxide anions
description	Abstract 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 C6H6O2 + 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.
format	article
author	Carlos Guerra Sarvesh Kumar Fernando Aguilar-Galindo Sergio Díaz-Tendero Ana I. Lozano Mónica Mendes Paulo Limão-Vieira Gustavo García
author_facet	Carlos Guerra Sarvesh Kumar Fernando Aguilar-Galindo Sergio Díaz-Tendero Ana I. Lozano Mónica Mendes Paulo Limão-Vieira Gustavo García
author_sort	Carlos Guerra
title	Unexpected benzene oxidation in collisions with superoxide anions
title_short	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_sort	unexpected benzene oxidation in collisions with superoxide anions
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/b84e4314d78c4cd29c9c741e1f47e26c
work_keys_str_mv	AT carlosguerra unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT sarveshkumar unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT fernandoaguilargalindo unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT sergiodiaztendero unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT anailozano unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT monicamendes unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT paulolimaovieira unexpectedbenzeneoxidationincollisionswithsuperoxideanions AT gustavogarcia unexpectedbenzeneoxidationincollisionswithsuperoxideanions
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Unexpected benzene oxidation in collisions with superoxide anions

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