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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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. |
format | Online Article Text |
id | pubmed-9189832 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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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