Impact of Size and Electronegativity of Halide Anions on Hydrogen Bonds and Properties of 1-Ethyl-3-methylimidazolium-Based Ionic Liquids

2019 ◽  
Vol 123 (23) ◽  
pp. 4948-4963 ◽  
Author(s):  
Paridhi Sanchora ◽  
Deepak K. Pandey ◽  
Debkumar Rana ◽  
Arnulf Materny ◽  
Dheeraj K. Singh
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Halide Anions

scholarly journals Modification of Chitin Particles with Ionic Liquids Containing Ethyl Substituent in a Cation

2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
Malgorzata M. Jaworska ◽  
Andrzej Górak ◽  
Joanna Zdunek
Keyword(s):  
Particle Size ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Particle Size Distribution ◽  
Size Distribution ◽  
High Viscosity ◽  
Physical Structure ◽  
Ethyl Group ◽  
Network Of Hydrogen Bonds

Chitin cannot be dissolved in conventional solvents due to the strong inter- and intrasheet network of hydrogen bonds and the large number of crystalline regions. Some ionic liquids (ILs) have been suggested in the literature as possible solvents for chitin. Seven of them, all having an ethyl group as substituent in the cationic ring, have been tested in this work: [Emim][Cl], [Emim][Br], [Emim][I], [Emim][OAc], [Emim][Lact], [Epyr][I], and [EMS][BFSI]. Chitin was insoluble in [EMS][BFSI] while for all other ILs solubility was limited due to high viscosity of solutions and equilibria have not been reached. Changes in physical structure, particle size distribution, and crystallinity of recovered chitin depended on ionic liquid used. Increase in porosity was observed for chitin treated with [Emim][Cl], [Emim][I], [Emim][Br], and [Emim][Lact]; changes in particle size distribution were observed for [Emim][AcOH] and [EMS][BFSI]; increase in crystallinity was noticed for chitin treated with [Epyr][I] while decrease in crystallinity for [Emim][I] was noticed. All tested ionic liquids were reused four times and changes in FTIR spectra could be observed for each IL.

Unique Structures and Vibrational Spectra of Protic Ionic Liquids Confined in TiO2 Slits: The Role of Interfacial Hydrogen Bonds

Langmuir ◽  
2018 ◽  
Vol 34 (44) ◽  
pp. 13449-13458 ◽  
Author(s):  
Zhongyang Dai ◽  
Lili Shi ◽  
Linghong Lu ◽  
Yunhao Sun ◽  
Xiaohua Lu
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Protic Ionic Liquids

Hydrogen bonds in protic ionic liquids and their correlation with physicochemical properties

2011 ◽  
Vol 47 (47) ◽  
pp. 12676 ◽  
Author(s):  
Muhammed Shah Miran ◽  
Hiroshi Kinoshita ◽  
Tomohiro Yasuda ◽  
Md. Abu Bin Hasan Susan ◽  
Masayoshi Watanabe
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Physicochemical Properties ◽  
Protic Ionic Liquids

scholarly journals Towards understanding of delignification of grassy and woody biomass in cholinium-based ionic liquids

2021 ◽  
Author(s):  
Mood Mohan ◽  
Hemant Choudhary ◽  
Anthe George ◽  
Blake A. Simmons ◽  
Kenneth Sale ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Molecular Dynamics Simulations ◽  
Woody Biomass ◽  
Dissolution Mechanism ◽  
Dynamics Simulations ◽  
Multiple Hydrogen Bonds

Herein we report the dissolution mechanism of lignin in cholinium-based ionic liquids by molecular dynamics simulations. Multiple hydrogen bonds, longer HB lifetimes, and higher pKa of [Ch][Lys] makes it a better solvent for lignin than acidic ILs.

A force field for bio-polymers in ionic liquids (BILFF) – part 1: [EMIm][OAc]/water mixtures

2021 ◽  
Author(s):  
Eliane Roos ◽  
Martin Brehm
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Force Field ◽  
Force Field Parameters

We present BILFF, a force field for bio-polymers in ionic liquids, optimized to accurately describe hydrogen bonds. In the first part, we introduce force field parameters for mixtures of 1-ethyl-3-methylimidazolium acetate ([EMIm][OAc]) with water.

Hydroxyl Ionic Liquids: The Differentiating Effect of Hydroxyl on Polarity due to Ionic Hydrogen Bonds between Hydroxyl and Anions

2010 ◽  
Vol 114 (11) ◽  
pp. 3912-3920 ◽  
Author(s):  
Shiguo Zhang ◽  
Xiujuan Qi ◽  
Xiangyuan Ma ◽  
Liujin Lu ◽  
Youquan Deng
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Ionic Hydrogen Bonds

scholarly journals The infrared spectra of protic ionic liquids: performances of different computational models to predict hydrogen bonds and conformer evolution

2020 ◽  
Vol 22 (14) ◽  
pp. 7497-7506 ◽  
Author(s):  
O. Palumbo ◽  
A. Cimini ◽  
F. Trequattrini ◽  
J.-B. Brubach ◽  
P. Roy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Infrared Spectra ◽  
Computational Models ◽  
Far Infrared ◽  
Protic Ionic Liquids ◽  
Far Infrared Spectra

DFT calculations with the ωB97-D functional reproduce hydrogen bonding features of the far-infrared spectra of diethylmethylammonium methanesulfonate and diethylmethylammonium trifluoromethanesulfonate.

Low-Frequency Vibrational Modes of Protic Molten Salts and Ionic Liquids: Detecting and Quantifying Hydrogen Bonds

2012 ◽  
Vol 51 (25) ◽  
pp. 6236-6240 ◽  
Author(s):  
Koichi Fumino ◽  
Elena Reichert ◽  
Kai Wittler ◽  
Rolf Hempelmann ◽  
Ralf Ludwig
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Molten Salts ◽  
Low Frequency ◽  
Vibrational Modes
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