How cationic and anionic portions of an imidazolium-based ionic liquid interact with molecular liquids: Insights from density functional theory calculations

A Hosseinian, MSS Googheri - Journal of Molecular Liquids, 2019 - Elsevier
Abstract Intermolecular interactions of 1-ethyl-3-methylimidazolium bis
(trifluoromethylsulfonyl) imide ([emim][Tf 2 N]) as an imidazolium-based ionic liquid, with …

Structural microheterogeneity and hydrogen bonding properties in the mixtures of two ionic liquids with a common imidazolium cation

R Zhao, X Xu, Z Wang, Y Zheng, Y Zhou… - Journal of Molecular …, 2022 - Elsevier
A recent focus in the ionic liquid field is to mix two (or more) ionic liquids to expand the
available properties. In this work, the interactions and structural properties of 1-ethyl-3 …

Configurational effect on ion-pair interaction energies and intermolecular potential energy functions in imidazolium-based ionic liquids: A theoretical study

MS Googheri, MSS Googheri, SH Araghi - Journal of Molecular Liquids, 2018 - Elsevier
Five imidazolium-based ionic liquids with the Bis (trifluoromethylsulfonyl) imide ([Tf 2 N]−),
Eethylsulfate ([EtSO 4]−), Lactate ([lactate]−), Hexafluorophosphate ([PF 6]−) and Nitrate …

Insight into the structure and interaction properties of 1-propylnitrile-3-methylimidazolium bis (trifluoromethylsulfonyl) imide and chloroform mixtures

YZ Zheng, Y Zhou, G Deng, R Guo, DF Chen - Journal of Molecular Liquids, 2019 - Elsevier
In this work, the structure and interaction properties of the mixtures of a task specific ionic
liquid (TSIL) 1-propylnitrile-3-methylimidazolium bis (trifluoromethylsulfonyl) imide …

A theoretical investigation of the interactions between hydroxyl-functionalized ionic liquid and water/methanol/dimethyl sulfoxide

S Zhao, XZ Tian, YL Ren, JJ Wang, JN Liu… - Journal of molecular …, 2016 - Springer
Density functional calculations have been used to investigate the interactions of 1-(2-
hydroxyethyl)-3-methylimidazolium ([C 2 OHmim]+)-based ionic liquids (hydroxyl ILs) with …

The interactions between polar solvents (methanol, acetonitrile, dimethylsulfoxide) and the ionic liquid 1-ethyl-3-methylimidazolium bis (fluorosulfonyl) imide

Y Zhou, S Gong, X Xu, Z Yu, J Kiefer, Z Wang - Journal of Molecular Liquids, 2020 - Elsevier
In practical applications, ionic liquids (ILs) are usually used in mixtures with polar solvents to
reduce the cost of neat ILs and to manipulate their physicochemical properties. To apply …

Comparative study on interactions between ionic liquids and pyridine/hexane

R Lü, Z Qu, H Yu, F Wang, S Wang - Chemical Physics Letters, 2012 - Elsevier
Density functional calculations have been performed to investigate the interactions of two
neutral ionic liquids of 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]+[PF6]−) …

Study on the structural characteristics and interaction mechanisms of ionic liquid mixtures with a common imidazolium cation

R Zhao, X Xu, Y Zhou, Z Wang, Y Zhou - Journal of Molecular Liquids, 2023 - Elsevier
Recently, ionic liquid mixtures have been widely studied and successfully applied in many
fields. However, the basic knowledge of their molecular interactions is not yet fully …

Effect of the methylation and N–H acidic group on the physicochemical properties of imidazolium-based ionic liquids

ASMC Rodrigues, MAA Rocha… - The Journal of …, 2015 - ACS Publications
This work presents and highlights the differentiation of the physicochemical properties of the
[C1Him][NTf2],[C2Him][NTf2],[1C12C1Him][NTf2], and [1C42C13C1im][NTf2] that is related …

Theoretical study on the interactions between methanol and imidazolium-based ionic liquids

X Zhu, H Sun, D Zhang, C Liu - Journal of molecular modeling, 2011 - Springer
To better understand the property of the binary systems composing of imidazolium salt,
emim+ Aˉ (A= Clˉ, Brˉ, BF 4 ˉ, and PF 6 ˉ) and methanol, we have investigated in …