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Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization

This paper reports on the collision dynamics of N(2) with metastable Ne(*) promoting chemiionizations, prototype of barrier-less oxidation reactions of great interest for fundamental and applied research. Extending guidelines presented in previous papers for the atom–atom case, an innovative treatme...

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Autores principales: Falcinelli, Stefano, Vecchiocattivi, Franco, Pirani, Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476572/
https://www.ncbi.nlm.nih.gov/pubmed/34580380
http://dx.doi.org/10.1038/s41598-021-98602-8
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author Falcinelli, Stefano
Vecchiocattivi, Franco
Pirani, Fernando
author_facet Falcinelli, Stefano
Vecchiocattivi, Franco
Pirani, Fernando
author_sort Falcinelli, Stefano
collection PubMed
description This paper reports on the collision dynamics of N(2) with metastable Ne(*) promoting chemiionizations, prototype of barrier-less oxidation reactions of great interest for fundamental and applied research. Extending guidelines presented in previous papers for the atom–atom case, an innovative treatment of the reaction stereodynamics involving molecules in a quantum state-to-state resolution conditions is proposed that emphasizes the role of structure and stability of the precursor that is here the reaction transition state. A critical test of such treatment, carried out exploiting a new formulation both of real and imaginary parts of the optical potential driving the reaction dynamics, is represented by the detailed-combined description of all relevant findings, provided by high resolution molecular beam scattering experiments carried out in our and other laboratories. The present analysis casts light on basic electronic rearrangements of such prototype oxidation reaction which are expected to be of fundamental interest for many other reactions involving open shell atoms and free radicals.
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spelling pubmed-84765722021-09-29 Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization Falcinelli, Stefano Vecchiocattivi, Franco Pirani, Fernando Sci Rep Article This paper reports on the collision dynamics of N(2) with metastable Ne(*) promoting chemiionizations, prototype of barrier-less oxidation reactions of great interest for fundamental and applied research. Extending guidelines presented in previous papers for the atom–atom case, an innovative treatment of the reaction stereodynamics involving molecules in a quantum state-to-state resolution conditions is proposed that emphasizes the role of structure and stability of the precursor that is here the reaction transition state. A critical test of such treatment, carried out exploiting a new formulation both of real and imaginary parts of the optical potential driving the reaction dynamics, is represented by the detailed-combined description of all relevant findings, provided by high resolution molecular beam scattering experiments carried out in our and other laboratories. The present analysis casts light on basic electronic rearrangements of such prototype oxidation reaction which are expected to be of fundamental interest for many other reactions involving open shell atoms and free radicals. Nature Publishing Group UK 2021-09-27 /pmc/articles/PMC8476572/ /pubmed/34580380 http://dx.doi.org/10.1038/s41598-021-98602-8 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
Falcinelli, Stefano
Vecchiocattivi, Franco
Pirani, Fernando
Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title_full Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title_fullStr Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title_full_unstemmed Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title_short Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne(*) + N(2) chemiionization
title_sort selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on ne(*) + n(2) chemiionization
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476572/
https://www.ncbi.nlm.nih.gov/pubmed/34580380
http://dx.doi.org/10.1038/s41598-021-98602-8
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