How the cation size impacts on the relaxational and diffusional dynamics of supercooled butylammonium-based ionic liquids: DPEBA–TFSI versus BTMA–TFSI

Abstract Li-bis(trifluoromethylsulfonyl)imide based ionic liquids with either butyl-trimethylammonium or N,N-dimethyl-N-(2-(propionyloxy)-ethyl)butan-1-ammonium as the anion were studied using proton and fluorine relaxometry as well as using field-gradient diffusometry to gain separate access to cation and anion dynamics in these compounds. The transport parameters obtained for these ionic liquids are compared with the estimates based on the conductivity data from literature and from the present work. The impact of cation size on correlation effects, the latter parameterized in terms of various Haven ratios, is mapped out.

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From bulk self-assembly to electrical diffuse layer in a continuum approach for ionic liquids: The impact of anion and cation size asymmetry

Physical Review E ◽

10.1103/physreve.95.060201 ◽

2017 ◽

Vol 95 (6) ◽

Cited By ~ 12

Author(s):

Sariel Bier ◽

Nir Gavish ◽

Hannes Uecker ◽

Arik Yochelis

Keyword(s):

Ionic Liquids ◽

Self Assembly ◽

Diffuse Layer ◽

Continuum Approach ◽

Cation Size ◽

The Impact ◽

Size Asymmetry

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Controlled Nanostructuration of Cobalt Oxyhydroxide Electrode Material for Hybrid Supercapacitors

Materials ◽

10.3390/ma14092325 ◽

2021 ◽

Vol 14 (9) ◽

pp. 2325

Author(s):

Ronan Invernizzi ◽

Liliane Guerlou-Demourgues ◽

François Weill ◽

Alexia Lemoine ◽

Marie-Anne Dourges ◽

...

Keyword(s):

Ionic Liquid ◽

Ionic Liquids ◽

Energy Storage ◽

Specific Surface ◽

Electrode Materials ◽

Specific Capacity ◽

Hybrid Supercapacitors ◽

Cobalt Oxyhydroxide ◽

Precipitation Medium ◽

The Impact

Nanostructuration is one of the most promising strategies to develop performant electrode materials for energy storage devices, such as hybrid supercapacitors. In this work, we studied the influence of precipitation medium and the use of a series of 1-alkyl-3-methylimidazolium bromide ionic liquids for the nanostructuration of β(III) cobalt oxyhydroxides. Then, the effect of the nanostructuration and the impact of the different ionic liquids used during synthesis were investigated in terms of energy storage performances. First, we demonstrated that forward precipitation, in a cobalt-rich medium, leads to smaller particles with higher specific surface areas (SSA) and an enhanced mesoporosity. Introduction of ionic liquids (ILs) in the precipitation medium further strongly increased the specific surface area and the mesoporosity to achieve well-nanostructured materials with a very high SSA of 265 m2/g and porosity of 0.43 cm3/g. Additionally, we showed that ILs used as surfactant and template also functionalize the nanomaterial surface, leading to a beneficial synergy between the highly ionic conductive IL and the cobalt oxyhydroxide, which lowers the resistance charge transfer and improves the specific capacity. The nature of the ionic liquid had an important influence on the final electrochemical properties and the best performances were reached with the ionic liquid containing the longest alkyl chain.

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Influence of Water on Diffusion in Imidazolium-Based Ionic Liquids: A Pulsed Field Gradient NMR study

The Journal of Physical Chemistry B ◽

10.1021/jp900902n ◽

2009 ◽

Vol 113 (18) ◽

pp. 6353-6359 ◽

Cited By ~ 83

Author(s):

Amrish Menjoge ◽

JaNeille Dixon ◽

Joan F. Brennecke ◽

Edward J. Maginn ◽

Sergey Vasenkov

Keyword(s):

Ionic Liquids ◽

Field Gradient ◽

Pulsed Field Gradient Nmr ◽

Pulsed Field ◽

Nmr Study ◽

Influence Of Water

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Comprehensive study on the impact of the cation alkyl side chain length on the solubility of water in ionic liquids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.03.040 ◽

2015 ◽

Vol 210 ◽

pp. 264-271 ◽

Cited By ~ 24

Author(s):

Kiki A. Kurnia ◽

Catarina M.S.S. Neves ◽

Mara G. Freire ◽

Luís M.N.B.F. Santos ◽

João A.P. Coutinho

Keyword(s):

Ionic Liquids ◽

Chain Length ◽

Side Chain ◽

Alkyl Side Chain ◽

Side Chain Length ◽

The Impact ◽

Comprehensive Study

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Wetting transition of ionic liquids at metal surfaces: A computational molecular approach to electronic screening using a virtual Thomas-Fermi fluid

10.21203/rs.3.rs-83084/v1 ◽

2020 ◽

Author(s):

Alexander Schlaich ◽

Dongliang Jin ◽

Lyderic Bocquet ◽

Benoit Coasne

Keyword(s):

Ionic Liquids ◽

Energy Storage ◽

Electrostatic Interactions ◽

Debye Length ◽

Wetting Transition ◽

Molecular Fluids ◽

Thomas Fermi ◽

Electronic Screening ◽

Novel Approach ◽

The Impact

Abstract Of particular relevance to energy storage, electrochemistry and catalysis, ionic and dipolar liquids display a wealth of unexpected fundamental behaviors – in particular in confinement. Beyond now well-documented adsorption, overscreening and crowding effects1,2,3, recent experiments have highlighted novel phenomena such as unconventional screening4 and the impact of the electronic nature – metallic versus insulating – of the confining surface on wetting/phase transitions5,6. Such behaviors, which challenge existing theoretical and numerical modeling frameworks, point to the need for new powerful tools to embrace the properties of confined ionic/dipolar liquids. Here, we introduce a novel atom-scale approach which allows for a versatile description of electronic screening while capturing all molecular aspects inherent to molecular fluids in nanoconfined/interfacial environments. While state of the art molecular simulation strategies only consider perfect metal or insulator surfaces, we build on the Thomas-Fermi formalism for electronic screening to develop an effective approach that allows dealing with any imperfect metal between these asymptotes. The core of our approach is to describe electrostatic interactions within the metal through the behavior of a `virtual' Thomas-Fermi fluid of charged particles, whose Debye length sets the Thomas-Fermi screening length λ in the metal. This easy-to-implement molecular method captures the electrostatic interaction decay upon varying λ from insulator to perfect metal conditions, while describing very accurately the capacitance behavior – and hence the electrochemical properties – of the metallic confining medium. By applying this strategy to a nanoconfined ionic liquid, we demonstrate an unprecedented wetting transition upon switching the confining medium from insulating to metallic. This novel approach provides a powerful framework to predict the unsual behavior of ionic liquids, in particular inside nanoporous metallic structures, with direct applications for energy storage and electrochemistry.

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Pyr1,xTFSI Ionic Liquids (x = 1–8): A Computational Chemistry Study

Applied Sciences ◽

10.3390/app10238552 ◽

2020 ◽

Vol 10 (23) ◽

pp. 8552

Author(s):

Sergio Brutti

Keyword(s):

Ionic Liquids ◽

Physicochemical Properties ◽

Density Functional ◽

Ion Pairs ◽

Molecular Size ◽

Molecular Structures ◽

Safety Standards ◽

Oxidation Reduction ◽

Reduction Stability ◽

The Impact

Pyrrolidinium-based (Pyr) ionic liquids are a very wide family of molecular species. Pyrrolidinium cations are electrochemically stable in a large potential interval and their molecular size hinders their transport properties. The corresponding ionic liquids with trifluoromethyl sulphonyl imide anions are excellent solvents for lithium/sodium salts and have been demonstrated as electrolytes in aprotic batteries with enhanced safety standards. In this study, the analysis of the physicochemical properties of a homologous series of pyrrolidinium-based ionic liquids with general formula Pyr1,xTFSI (x = 1–8) have been tackled by first principles calculations based on the density functional theory. The molecular structures of isolated ions and ion pairs have been predicted by electronic structure calculations at B3LYP level of theory in vacuum or in simulated solvents. Thermodynamic properties have been calculated to evaluate the ion pairs dissociation and oxidation/reduction stability. This is the first systematic computational analysis of this series of molecules with a specific focus on the impact of the length of the alkyl chain on the pyrrolidinium cation on the overall physicochemical properties of the ion pairs.

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Amphiphilic ionic liquid induced fusion of phospholipid liposomes

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04014b ◽

2020 ◽

Vol 22 (43) ◽

pp. 25255-25263

Author(s):

Sandeep Kumar ◽

Navleen Kaur ◽

Venus Singh Mithu

Keyword(s):

Ionic Liquid ◽

Ionic Liquids ◽

Structural Integrity ◽

Unilamellar Vesicles ◽

Phospholipid Liposomes ◽

Large Unilamellar Vesicles ◽

The Impact

The impact of increasing concentration of imidazolium-based ionic liquids ([CnMIM]+[Br]−) on the structural integrity of large unilamellar vesicles (LUVs) made of pure phosphatidylcholine (PC) and phosphatidylglycerol (PG) lipids.

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Impact of Ionic Liquids on Induction of Wheat Microspore Embryogenesis and Plant Regeneration

Agronomy ◽

10.3390/agronomy10060839 ◽

2020 ◽

Vol 10 (6) ◽

pp. 839

Author(s):

Dorota Weigt ◽

Idzi Siatkowski ◽

Magdalena Magaj ◽

Agnieszka Tomkowiak ◽

Jerzy Nawracała

Keyword(s):

Ionic Liquids ◽

Plant Regeneration ◽

Positive Impact ◽

Microspore Embryogenesis ◽

Green Plant ◽

Induction Medium ◽

Dichlorophenoxyacetic Acid ◽

2,4 Dichlorophenoxyacetic Acid ◽

The Impact

Ionic liquids are novel compounds with unique chemical and physical properties. They can be received based on synthetic auxins like 2,4-dichlorophenoxyacetic acid or dicamba, which are commonly used hormones in microspore embryogenesis. Nevertheless, ionic liquids have not been adapted in plant in vitro culture thus far. Therefore, we studied the impact of ionic liquids on the ability to undergo microspore embryogenesis in anther cultures of wheat. Two embryogenic and two recalcitrant genotypes were used for this study. Ten combinations of ionic liquids and 2,4-dichlorophenoxyacetic acid were added to the induction medium. In most cases, they stimulated induction of microspore embryogenesis and green plant regeneration more than a control medium supplemented with only 2,4-dichlorophenoxyacetic acid. Two treatments were the most favorable, resulting in over two times greater efficiency of microspore embryogenesis induction in comparison to the control. The effect of breaking down the genotype recalcitrance (manifested by green plant formation) was observed under the influence of 5 ionic liquids treatments. Summing up, ionic liquids had a positive impact on microspore embryogenesis induction and green plant regeneration, increasing the efficiency of these phenomena in both embryogenic and recalcitrant genotypes. Herbicidal ionic liquids can be successfully used in in vitro cultures.

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