Cargando…
The topology of the reaction stereo-dynamics in chemi-ionizations
Details on the stereo-dynamic topology of chemi-ionizations highlight the role of the centrifugal barrier of colliding reactants: it acts as a selector of the orbital quantum number effective for reaction in a state-to-state treatment. Here, an accurate internally consistent formulation of the Optic...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9925729/ https://www.ncbi.nlm.nih.gov/pubmed/36782019 http://dx.doi.org/10.1038/s42004-023-00830-8 |
_version_ | 1784888119479238656 |
---|---|
author | Falcinelli, Stefano Vecchiocattivi, Franco Pirani, Fernando |
author_facet | Falcinelli, Stefano Vecchiocattivi, Franco Pirani, Fernando |
author_sort | Falcinelli, Stefano |
collection | PubMed |
description | Details on the stereo-dynamic topology of chemi-ionizations highlight the role of the centrifugal barrier of colliding reactants: it acts as a selector of the orbital quantum number effective for reaction in a state-to-state treatment. Here, an accurate internally consistent formulation of the Optical interaction potentials, obtained by the combined analysis of scattering and spectroscopic experimental findings, casts light on structure, energy and angular momentum couplings of the precursor (pre-reactive) state controlling the stereo-dynamics of prototypical chemi-ionization reactions. The closest approach (turning point) of reagents, is found to control the relative weight of two different reaction mechanisms: (i) A direct mechanism stimulated by exchange chemical forces mainly acting at short separation distances and high collision energy; (ii) An indirect mechanism, caused by the combination of weak chemical and physical forces dominant at larger distances, mainly probed at low collision energy, that can be triggered by a virtual photon exchange between reagents. |
format | Online Article Text |
id | pubmed-9925729 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-99257292023-02-15 The topology of the reaction stereo-dynamics in chemi-ionizations Falcinelli, Stefano Vecchiocattivi, Franco Pirani, Fernando Commun Chem Article Details on the stereo-dynamic topology of chemi-ionizations highlight the role of the centrifugal barrier of colliding reactants: it acts as a selector of the orbital quantum number effective for reaction in a state-to-state treatment. Here, an accurate internally consistent formulation of the Optical interaction potentials, obtained by the combined analysis of scattering and spectroscopic experimental findings, casts light on structure, energy and angular momentum couplings of the precursor (pre-reactive) state controlling the stereo-dynamics of prototypical chemi-ionization reactions. The closest approach (turning point) of reagents, is found to control the relative weight of two different reaction mechanisms: (i) A direct mechanism stimulated by exchange chemical forces mainly acting at short separation distances and high collision energy; (ii) An indirect mechanism, caused by the combination of weak chemical and physical forces dominant at larger distances, mainly probed at low collision energy, that can be triggered by a virtual photon exchange between reagents. Nature Publishing Group UK 2023-02-13 /pmc/articles/PMC9925729/ /pubmed/36782019 http://dx.doi.org/10.1038/s42004-023-00830-8 Text en © The Author(s) 2023 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Falcinelli, Stefano Vecchiocattivi, Franco Pirani, Fernando The topology of the reaction stereo-dynamics in chemi-ionizations |
title | The topology of the reaction stereo-dynamics in chemi-ionizations |
title_full | The topology of the reaction stereo-dynamics in chemi-ionizations |
title_fullStr | The topology of the reaction stereo-dynamics in chemi-ionizations |
title_full_unstemmed | The topology of the reaction stereo-dynamics in chemi-ionizations |
title_short | The topology of the reaction stereo-dynamics in chemi-ionizations |
title_sort | topology of the reaction stereo-dynamics in chemi-ionizations |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9925729/ https://www.ncbi.nlm.nih.gov/pubmed/36782019 http://dx.doi.org/10.1038/s42004-023-00830-8 |
work_keys_str_mv | AT falcinellistefano thetopologyofthereactionstereodynamicsinchemiionizations AT vecchiocattivifranco thetopologyofthereactionstereodynamicsinchemiionizations AT piranifernando thetopologyofthereactionstereodynamicsinchemiionizations AT falcinellistefano topologyofthereactionstereodynamicsinchemiionizations AT vecchiocattivifranco topologyofthereactionstereodynamicsinchemiionizations AT piranifernando topologyofthereactionstereodynamicsinchemiionizations |