Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups

[Image: see text] Frustrated Lewis pairs (FLPs) based on nitrogen heterocycles (pyridine, pyrazole, and imidazole) with a silane or germane group in the α-position of a nitrogen atom have been considered as potential molecules to sequestrate carbon dioxide. Three stationary points have been characte...

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Autores principales: Ferrer, Maxime, Alkorta, Ibon, Elguero, José, Oliva-Enrich, Josep M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389994/
https://www.ncbi.nlm.nih.gov/pubmed/34375528
http://dx.doi.org/10.1021/acs.jpca.1c04787
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author Ferrer, Maxime
Alkorta, Ibon
Elguero, José
Oliva-Enrich, Josep M.
author_facet Ferrer, Maxime
Alkorta, Ibon
Elguero, José
Oliva-Enrich, Josep M.
author_sort Ferrer, Maxime
collection PubMed
description [Image: see text] Frustrated Lewis pairs (FLPs) based on nitrogen heterocycles (pyridine, pyrazole, and imidazole) with a silane or germane group in the α-position of a nitrogen atom have been considered as potential molecules to sequestrate carbon dioxide. Three stationary points have been characterized in the reaction profile: a pre-reactive complex, an adduct minimum, and the transition state connecting them. The effect of external (solvent) or internal (hydroxyl group) electric fields in the reaction profile has been considered. In both cases, it is possible to improve the kinetics and thermodynamics of the complexation of CO(2) by the FLP and favor the formation of adducts.
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spelling pubmed-83899942021-08-31 Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups Ferrer, Maxime Alkorta, Ibon Elguero, José Oliva-Enrich, Josep M. J Phys Chem A [Image: see text] Frustrated Lewis pairs (FLPs) based on nitrogen heterocycles (pyridine, pyrazole, and imidazole) with a silane or germane group in the α-position of a nitrogen atom have been considered as potential molecules to sequestrate carbon dioxide. Three stationary points have been characterized in the reaction profile: a pre-reactive complex, an adduct minimum, and the transition state connecting them. The effect of external (solvent) or internal (hydroxyl group) electric fields in the reaction profile has been considered. In both cases, it is possible to improve the kinetics and thermodynamics of the complexation of CO(2) by the FLP and favor the formation of adducts. American Chemical Society 2021-08-10 2021-08-19 /pmc/articles/PMC8389994/ /pubmed/34375528 http://dx.doi.org/10.1021/acs.jpca.1c04787 Text en © 2021 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 Ferrer, Maxime
Alkorta, Ibon
Elguero, José
Oliva-Enrich, Josep M.
Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title_full Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title_fullStr Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title_full_unstemmed Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title_short Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
title_sort sequestration of carbon dioxide with frustrated lewis pairs based on n-heterocycles with silane/germane groups
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389994/
https://www.ncbi.nlm.nih.gov/pubmed/34375528
http://dx.doi.org/10.1021/acs.jpca.1c04787
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