Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate

Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibrium concentrations of the involved species are mode...

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Detalles Bibliográficos
Autores principales: Jacobi, Richard, Joerg, Florian, Steinhauser, Othmar, Schröder, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9020328/
https://www.ncbi.nlm.nih.gov/pubmed/35403653
http://dx.doi.org/10.1039/d2cp00643j
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author Jacobi, Richard
Joerg, Florian
Steinhauser, Othmar
Schröder, Christian
author_facet Jacobi, Richard
Joerg, Florian
Steinhauser, Othmar
Schröder, Christian
author_sort Jacobi, Richard
collection PubMed
description Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibrium concentrations of the involved species are modeled by the combination of reducible Markov chains and quantum-mechanical calculations.
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spelling pubmed-90203282022-06-01 Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate Jacobi, Richard Joerg, Florian Steinhauser, Othmar Schröder, Christian Phys Chem Chem Phys Chemistry Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibrium concentrations of the involved species are modeled by the combination of reducible Markov chains and quantum-mechanical calculations. The Royal Society of Chemistry 2022-04-07 /pmc/articles/PMC9020328/ /pubmed/35403653 http://dx.doi.org/10.1039/d2cp00643j Text en This journal is © the Owner Societies https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Jacobi, Richard
Joerg, Florian
Steinhauser, Othmar
Schröder, Christian
Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title_full Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title_fullStr Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title_full_unstemmed Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title_short Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
title_sort emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9020328/
https://www.ncbi.nlm.nih.gov/pubmed/35403653
http://dx.doi.org/10.1039/d2cp00643j
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