Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

2017 ◽  
Vol 19 (19) ◽  
pp. 11869-11880 ◽  
Author(s):  
Marco Campetella ◽  
Maria Montagna ◽  
Lorenzo Gontrani ◽  
Eleonora Scarpellini ◽  
Enrico Bodo
Keyword(s):  
Ionic Liquids ◽  
Aspartic Acid ◽  
Theoretical Calculations ◽  
Bulk Phase ◽  
Proton Mobility ◽  
A Chain

A chain of aspartic acid anions connected by H-bonds exchanging protons.

1-Alkyl-3-Methylimidazolium Cation Binding Preferences in Hexafluorophosphate Ionic Liquid Clusters Determined Using Competitive TCID Measurements and Theoretical Calculations

2021 ◽  
Author(s):  
Harrison A. Roy ◽  
Mary Rodgers
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Theoretical Calculations ◽  
Cation Binding ◽  
Macroscopic Properties ◽  
Liquid Clusters

Ionic liquids (ILs) exhibit unique properties that have led to their development and widespread use for a variety of applications. Development efforts have generally focused on achieving desired macroscopic properties...

scholarly journals Electrical and Electrochemical Behavior of Carbon Paste Electrodes Modified with Ionic Liquids Based in N-Octylpyridinium Bis(Trifluoromethylsulfonyl)Imide. A Theoretical and Experimental Study

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3382 ◽  
Author(s):  
Báez ◽  
Navarro ◽  
Fuenzalida ◽  
Aguirre ◽  
Arévalo ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Ionic Liquids ◽  
High Resistance ◽  
Electrochemical Impedance ◽  
Theoretical Calculations ◽  
Intermolecular Forces ◽  
Carbon Paste ◽  
Carbon Paste Electrodes ◽  
Best Response ◽  
Lower Porosity

In this work, we studied carbon paste electrodes (CPEs) with two kinds of binders: mineral oil or ionic liquids (IL) derived from N-substituted octyl pyridinium bis(trifluoromethylsulfonyl)imide with the substituents H-, CH3-, CN- and CF3-. The work aims to study this series of IL and determine a possible effect of the substituent of the cation in the behavior of the IL as a binder of graphite for obtaining IL-CPEs. The electrochemical response and the electrical behavior were measured by cyclic voltammetry and electrochemical impedance spectroscopy, respectively. Surprisingly, the substituent does not affect the cyclic voltammetry response because in all the cases, high resistance and high capacitive currents were obtained. The best response in terms of conductivity is obtained by CPE. In the case of impedance measurements, the substituent does not cause differences, and in all the cases, the IL-CPEs show nearly the same responses. CPE shows lower capacitance and higher resistance for diffusion compared to the IL-CPEs due to his lower porosity. The high resistance showed by the IL-CPEs by cyclic voltammetry can be attributed to poorly intermolecular forces among graphite, water, electrolyte, and ILs as demonstrated by theoretical calculations.

scholarly journals Brønsted acidic ionic liquids for cellulose hydrolysis in an aqueous medium: structural effects on acidity and glucose yield

RSC Advances ◽  
2018 ◽  
Vol 8 (26) ◽  
pp. 14623-14632 ◽  
Author(s):  
Shiori Suzuki ◽  
Yuko Takeoka ◽  
Masahiro Rikukawa ◽  
Masahiro Yoshizawa-Fujita
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Microwave Irradiation ◽  
Theoretical Calculations ◽  
Cellulose Hydrolysis ◽  
Acidity Function ◽  
Structural Effects ◽  
Glucose Yield ◽  
Acidic Ionic Liquids ◽  
Hammett Acidity Function

Using Brønsted acidic ionic liquids with various structures, their acidic catalytic activity for cellulose hydrolysis assisted by microwave irradiation was assessed using the Hammett acidity function (H0) and theoretical calculations.

scholarly journals Theoretical study on the microscopic mechanism of lignin solubilization in Keggin-type polyoxometalate ionic liquids

2020 ◽  
Vol 22 (5) ◽  
pp. 2878-2886 ◽  
Author(s):  
Zhaoyang Ju ◽  
Weihua Xiao ◽  
Xiaoqian Yao ◽  
Xin Tan ◽  
Blake A. Simmons ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Microscopic Mechanism ◽  
Keggin Type

The microscopic mechanism of lignin solubilization in Keggin-type polyoxometalate ionic liquids had been studied by theoretical calculations.

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