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On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship

[Image: see text] This study explores the transport properties of bis(trifluoromethylsulfonyl)imide-based ionic liquids with a naturally derived (1R,2S,5R)-(−)-menthol moiety in the cationic part. In particular, we investigated the dependence of the dynamic viscosity and electrical conductivity as f...

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Autores principales: Feder-Kubis, Joanna, Gardas, Ramesh L., Geppert-Rybczyńska, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389901/
https://www.ncbi.nlm.nih.gov/pubmed/34297553
http://dx.doi.org/10.1021/acs.jpcb.1c03827
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author Feder-Kubis, Joanna
Gardas, Ramesh L.
Geppert-Rybczyńska, Monika
author_facet Feder-Kubis, Joanna
Gardas, Ramesh L.
Geppert-Rybczyńska, Monika
author_sort Feder-Kubis, Joanna
collection PubMed
description [Image: see text] This study explores the transport properties of bis(trifluoromethylsulfonyl)imide-based ionic liquids with a naturally derived (1R,2S,5R)-(−)-menthol moiety in the cationic part. In particular, we investigated the dependence of the dynamic viscosity and electrical conductivity as functions of the alkyl chain length. An important finding of this study is that both properties show nonmonotonic behavior with respect to the alkyl chain length. The nonmonotonic dependency is an obstacle for establishing the relationships between the structure and transport properties of homologues. To overcome this difficulty, we recommend fast property screening using a theoretical model that we developed, which allows for efficient viscosity prediction by means of the group contribution method. As demonstrated in this study, the model allows for reliable predictions of viscosity in the studied series with an overall relative deviation of less than 8%.
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spelling pubmed-83899012021-08-31 On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship Feder-Kubis, Joanna Gardas, Ramesh L. Geppert-Rybczyńska, Monika J Phys Chem B [Image: see text] This study explores the transport properties of bis(trifluoromethylsulfonyl)imide-based ionic liquids with a naturally derived (1R,2S,5R)-(−)-menthol moiety in the cationic part. In particular, we investigated the dependence of the dynamic viscosity and electrical conductivity as functions of the alkyl chain length. An important finding of this study is that both properties show nonmonotonic behavior with respect to the alkyl chain length. The nonmonotonic dependency is an obstacle for establishing the relationships between the structure and transport properties of homologues. To overcome this difficulty, we recommend fast property screening using a theoretical model that we developed, which allows for efficient viscosity prediction by means of the group contribution method. As demonstrated in this study, the model allows for reliable predictions of viscosity in the studied series with an overall relative deviation of less than 8%. American Chemical Society 2021-07-23 2021-08-05 /pmc/articles/PMC8389901/ /pubmed/34297553 http://dx.doi.org/10.1021/acs.jpcb.1c03827 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 Feder-Kubis, Joanna
Gardas, Ramesh L.
Geppert-Rybczyńska, Monika
On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title_full On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title_fullStr On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title_full_unstemmed On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title_short On the Influence of the Menthol Moiety on the Transport Properties of a Homologue Series of Functionalized Bis(trifluoromethylsulfonyl)imide Room-Temperature Ionic Liquids: A Quest for the Structure–Property Relationship
title_sort on the influence of the menthol moiety on the transport properties of a homologue series of functionalized bis(trifluoromethylsulfonyl)imide room-temperature ionic liquids: a quest for the structure–property relationship
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389901/
https://www.ncbi.nlm.nih.gov/pubmed/34297553
http://dx.doi.org/10.1021/acs.jpcb.1c03827
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