Molecular level interactions in binary mixtures of 1-ethyl 3-methylimidazolium tetrafluoroborate and water

RSC Advances ◽  
2015 ◽  
Vol 5 (26) ◽  
pp. 19907-19913 ◽  
Author(s):  
Mayeesha Marium ◽  
M. Muhibur Rahman ◽  
M. Yousuf A. Mollah ◽  
Md. Abu Bin Hasan Susan
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Binary Mixtures ◽  
Liquid Water ◽  
Spectroscopic Analysis ◽  
Molecular Level

NIR spectroscopic analysis and DLS measurements were carried out to study hydrogen bonding and aggregation in ionic liquid–water binary mixtures.

Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17–42) amyloid fibrils

2021 ◽  
Vol 23 (11) ◽  
pp. 6695-6709
Author(s):  
D. Gobbo ◽  
A. Cavalli ◽  
P. Ballone ◽  
A. Benedetto
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Liquid Water ◽  
Computational Analysis ◽  
Amyloid Fibrils ◽  
Aβ Peptides ◽  
Structure And Stability ◽  
Water Solutions ◽  
Kinetics Of

Tight coordination of peptides by organic anions driven by hydrogen bonding affects the fibrillation kinetics of Aβ peptides in ionic liquid/water solutions.

The effect of introducing an ether group into an imidazolium-based ionic liquid in binary mixtures with DMSO

2020 ◽  
Vol 22 (27) ◽  
pp. 15734-15742 ◽  
Author(s):  
Yu Zhou ◽  
Xianzhen Xu ◽  
Zonghua Wang ◽  
Shida Gong ◽  
Hong Chen ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Binary Mixtures ◽  
Ether Group ◽  
Hydrogen Bonding Interactions

Combined DFT and FTIR investigations reveal interesting hydrogen bonding interactions between dimethyl sulfoxide and an ether-functionalized imidazolium-based ionic liquid.

Excess molar volumes of binary mixtures (an ionic liquid+water): A review

2015 ◽  
Vol 82 ◽  
pp. 34-46 ◽  
Author(s):  
Indra Bahadur ◽  
Trevor M. Letcher ◽  
Sangeeta Singh ◽  
Gan G. Redhi ◽  
Pannuru Venkatesu ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Binary Mixtures ◽  
Liquid Water ◽  
Excess Molar Volumes ◽  
Molar Volumes

Phase equilibria study of (ionic liquid + water) binary mixtures

2013 ◽  
Vol 354 ◽  
pp. 66-74 ◽  
Author(s):  
Marta Królikowska ◽  
Monika Karpińska ◽  
Maciej Zawadzki
Keyword(s):  
Ionic Liquid ◽  
Phase Equilibria ◽  
Binary Mixtures ◽  
Liquid Water

scholarly journals Insights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach

Nanomaterials ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 2512
Author(s):  
Qianjin Guo ◽  
Qiang Liu ◽  
Yixin Zhao
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Spatial Distribution ◽  
Ionic Liquids ◽  
Binary Mixtures ◽  
Dimethyl Ether ◽  
Molecular Level ◽  
Distribution Functions ◽  
Tetraethylene Glycol ◽  
Glycol Dimethyl Ether

In this work, the effect of molecular cosolvents tetraethylene glycol dimethyl ether (TEGDME) on the structure and versatile nature of mixtures of these compounds with imidazolium-based ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) is analyzed and discussed at a molecular level by means of all-atom molecular dynamics (MD) simulations. In the whole concentration range of the binary mixtures, the structures and properties evolution was studied by means of systematic molecular dynamics simulations of the fraction of hydrogen bonds, the radial and spatial distribution functions for the various molecular ions and molecular species in the system, together with the snapshots visualization of equilibrated simulation boxes with a color-coding scheme and the rotational dynamics of coumarin 153 (C153) in the binary mixtures. The goal of the work is to provide a molecular-level understanding of significant improvement of ionic conductivity and self-diffusion with the presence of TEGDME as a cosolvent, which causes an enhancement to the ion translational motion and fluidity in the [bmim][PF6] ionic liquids (ILs). Under a mixture concentration change, the microstructure changes of [bmim][PF6] with the TEGDME molar fraction (XTEG) above 0.50 show a slight difference from that of neat [bmim][PF6] IL and concentrated [bmim][PF6]/TEGDME mixture in terms of the radial and spatial distribution functions. The relative diffusivities of solvent molecules to cations as a function of concentration were found to depend on the solvent but not on the anion. A TEGDME increase is found to be advantageous to the dissipation of the polar regions as well as the nonpolar regions in the [bmim][PF6] ionic liquids. These conclusions are consistent with the experimental results, which verified that the unique, complex, and versatile nature of [bmim][PF6]/TEGDME mixture can be correctly modeled and discussed at a molecular level using MD simulation data.

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