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Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen

[Image: see text] The exothermic hydrogen transfer from H(2) to CO(2)(·)(+) leading to H and HCO(2)(+) is investigated in a combined experimental and theoretical work. The experimental mass/charge ratios of the ionic product (HCO(2)(+)) and the ionic reactant (CO(2)(·)(+)) are recorded as a function...

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Autores principales: Satta, Mauro, Catone, Daniele, Castrovilli, Mattea Carmen, Bolognesi, Paola, Avaldi, Lorenzo, Zema, Nicola, Cartoni, Antonella
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189832/
https://www.ncbi.nlm.nih.gov/pubmed/35638704
http://dx.doi.org/10.1021/acs.jpca.2c01695
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author Satta, Mauro
Catone, Daniele
Castrovilli, Mattea Carmen
Bolognesi, Paola
Avaldi, Lorenzo
Zema, Nicola
Cartoni, Antonella
author_facet Satta, Mauro
Catone, Daniele
Castrovilli, Mattea Carmen
Bolognesi, Paola
Avaldi, Lorenzo
Zema, Nicola
Cartoni, Antonella
author_sort Satta, Mauro
collection PubMed
description [Image: see text] The exothermic hydrogen transfer from H(2) to CO(2)(·)(+) leading to H and HCO(2)(+) is investigated in a combined experimental and theoretical work. The experimental mass/charge ratios of the ionic product (HCO(2)(+)) and the ionic reactant (CO(2)(·)(+)) are recorded as a function of the photoionization energy of the synchrotron radiation. Theoretical density functional calculations and variational transition state theory are employed and adapted to analyze the energetic and the kinetics of the reaction, which turns out to be barrierless and with nonthermal rate coefficients controlled by nonstatistical processes. This study aims to understand the mechanisms and energetics that drive the reactivity of the elementary reaction of CO(2)(·)(+) with H(2) in different processes.
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spelling pubmed-91898322022-06-14 Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen Satta, Mauro Catone, Daniele Castrovilli, Mattea Carmen Bolognesi, Paola Avaldi, Lorenzo Zema, Nicola Cartoni, Antonella J Phys Chem A [Image: see text] The exothermic hydrogen transfer from H(2) to CO(2)(·)(+) leading to H and HCO(2)(+) is investigated in a combined experimental and theoretical work. The experimental mass/charge ratios of the ionic product (HCO(2)(+)) and the ionic reactant (CO(2)(·)(+)) are recorded as a function of the photoionization energy of the synchrotron radiation. Theoretical density functional calculations and variational transition state theory are employed and adapted to analyze the energetic and the kinetics of the reaction, which turns out to be barrierless and with nonthermal rate coefficients controlled by nonstatistical processes. This study aims to understand the mechanisms and energetics that drive the reactivity of the elementary reaction of CO(2)(·)(+) with H(2) in different processes. American Chemical Society 2022-05-31 2022-06-09 /pmc/articles/PMC9189832/ /pubmed/35638704 http://dx.doi.org/10.1021/acs.jpca.2c01695 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Satta, Mauro
Catone, Daniele
Castrovilli, Mattea Carmen
Bolognesi, Paola
Avaldi, Lorenzo
Zema, Nicola
Cartoni, Antonella
Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title_full Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title_fullStr Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title_full_unstemmed Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title_short Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
title_sort ion chemistry of carbon dioxide in nonthermal reaction with molecular hydrogen
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189832/
https://www.ncbi.nlm.nih.gov/pubmed/35638704
http://dx.doi.org/10.1021/acs.jpca.2c01695
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