On the Rich Chemistry of Pseudo‐Protic Ionic Liquid Electrolytes

L Wylie, M Kéri, A Udvardy, O Hollóczki… - …, 2023 - Wiley Online Library
Mixing weak acids and bases can produce highly complicated binary mixtures, called
pseudo‐protic ionic liquids, in which a complex network of effects determines the …

Insight to the local structure of mixtures of imidazolium-based ionic liquids and molecular solvents from molecular dynamics simulations and voronoi analysis

D Dudariev, V Koverga, O Kalugin… - The Journal of …, 2023 - ACS Publications
While the physicochemical properties as well as the NMR and vibration spectroscopic data
of the mixtures of ionic liquids (ILs) with molecular solvents undergo a drastic change …

Effect of Mixture Composition on the Photophysics of Indoline Dyes in Imidazolium Ionic Liquid-Molecular Solvent Mixtures: A Femtosecond Transient Absorption …

N Maity, K Polok, P Piatkowski… - The Journal of …, 2024 - ACS Publications
We conducted a study on the photophysics of three indoline dyes, D102, D149, and D205, in
binary mixtures of ionic liquids (IL) and polar aprotic molecular solvents (MS). Specifically …

New Local Composition Model for Correlating of the Molar Conductivity of Ionic Liquid–Solvent Systems over the Whole Concentration Range

Y Xu, Y Guo - The Journal of Physical Chemistry B, 2024 - ACS Publications
Considering that traditional electrolyte models are limited to use in the solvent-rich region,
the development of new models to describe the molar conductivity (Λm) over the whole …

Voronoi polyhedra as a tool for the characterization of inhomogeneous distribution in 1-butyl-3-methylimidazolium cation-based ionic liquids

V Koverga, N Maity, FA Miannay… - The Journal of …, 2020 - ACS Publications
The inhomogeneity distribution in four imidazolium-based ionic liquids (ILs) containing the 1-
butyl-3-methylimidazolium (C4mim) cation, coupled with tetrafluoroborate (BF4) …

Effect of the mixture composition of BmimBF4/PC on the solvation structure of C153 in as seen from molecular dynamics study

Y Smortsova, FA Miannay, O Kalugin… - Journal of Molecular …, 2023 - Elsevier
In this work we report the results of the molecular dynamics (MD) simulation of the effect of
the mixture composition of 1-butyl-3-methylimidazolium terafluoroborate (BmimBF 4) and …

Anion Effects on the Mixing States of 1-Methyl-3-octylimidazolium Tetrafluoroborate and Bis (trifluoromethylsulfonyl) amide with Methanol, Acetonitrile, and Dimethyl …

T Takamuku, A Tashiro, M Kawano… - The Journal of …, 2021 - ACS Publications
The mixing states of two imidazolium-based ionic liquids (ILs) with different anions, 1-methyl-
3-octylimidazolium tetrafluoroborate (C8mimBF4) and bis (trifluoromethylsulfonyl) amide …

Molecular dynamics and density functional theory studies of γ-butyrolactone (GBL)+ ethanol and γ-valerolactone (GVL)+ ethanol liquid mixtures

F Mbaiwa, M Nyepetsi - Journal of Molecular Liquids, 2020 - Elsevier
Abstract γ-Butyrolactone (GBL) and γ-valerolactone (GVL) are two of the lactones with wide
application in industry. The interactions of these two lactones with alcohols have been a …

Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents

IV Voroshylova, ESC Ferreira, VA Koverga… - … to Predicting Ionic …, 2021 - Elsevier
The aim of this work is to quantify the evolution of the various noncovalent interparticle
interactions in the binary mixtures of imidazolium-based ionic liquids (ILs) with …

Interrogating the mechanism of the solvation dynamics in BmimBF4/PC mixtures: A cooperative study employing time-resolved fluorescence and molecular dynamics

Y Smortsova, FA Miannay, T Gustavsson… - Journal of Molecular …, 2021 - Elsevier
In this article, the solvation in ionic liquid/molecular solvent (IL/MS) mixtures is investigated.
The steady-state and time-resolved measurements of the solvation of coumarin 153 (C153) …