Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity

2015 ◽  
Vol 17 (6) ◽  
pp. 4625-4633 ◽  
Author(s):  
Anurag Prakash Sunda ◽  
Anirban Mondal ◽  
Sundaram Balasubramanian
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Low Frequency ◽  
Atomistic Simulations ◽  
Steric Effects ◽  
Vibrational Modes ◽  
Protic Ionic Liquids ◽  
Varying Length ◽  
Alkyl Tail

Structural correlations and signature of cation–anion hydrogen bonding in ammonium triflate protic ionic liquids at varying length of the alkyl tail.

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.

The potential role of hydrogen bonding in aprotic and protic ionic liquids

2009 ◽  
Vol 11 (39) ◽  
pp. 8790 ◽  
Author(s):  
Koichi Fumino ◽  
Alexander Wulf ◽  
Ralf Ludwig
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Potential Role ◽  
Protic Ionic Liquids

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

Hydrogen Bonding in the Crystal Structures of New Imidazolium Triflimide Protic Ionic Liquids

2009 ◽  
Vol 39 (9) ◽  
pp. 662-668 ◽  
Author(s):  
Gino Bentivoglio ◽  
Alexander Schwärzler ◽  
Klaus Wurst ◽  
Volker Kahlenberg ◽  
Gerhard Nauer ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Crystal Structures ◽  
Protic Ionic Liquids

The Nature of Hydrogen Bonding in Protic Ionic Liquids

2013 ◽  
Vol 125 (17) ◽  
pp. 4721-4725 ◽  
Author(s):  
Robert Hayes ◽  
Silvia Imberti ◽  
Gregory G. Warr ◽  
Rob Atkin
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Protic Ionic Liquids

Dispersion and Hydrogen Bonding Rule: Why the Vaporization Enthalpies of Aprotic Ionic Liquids Are Significantly Larger than those of Protic Ionic liquids

2016 ◽  
Vol 55 (38) ◽  
pp. 11682-11686 ◽  
Author(s):  
Dzmitry H. Zaitsau ◽  
Vladimir N. Emel'yanenko ◽  
Peter Stange ◽  
Christoph Schick ◽  
Sergey P. Verevkin ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Protic Ionic Liquids

scholarly journals Probing molecular interaction in ionic liquids by low frequency spectroscopy: Coulomb energy, hydrogen bonding and dispersion forces

2014 ◽  
Vol 16 (40) ◽  
pp. 21903-21929 ◽  
Author(s):  
Koichi Fumino ◽  
Sebastian Reimann ◽  
Ralf Ludwig
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Vibrational Spectroscopy ◽  
Molecular Interaction ◽  
Low Frequency ◽  
Coulomb Energy ◽  
Dispersion Forces

Low vibrational spectroscopy provides detailed information on the strength and type of interaction and their influence on the properties of ionic liquids.

scholarly journals Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation

ACS Omega ◽  
2018 ◽  
Vol 3 (9) ◽  
pp. 10589-10600 ◽  
Author(s):  
Andrea Le Donne ◽  
Henry Adenusi ◽  
Francesco Porcelli ◽  
Enrico Bodo
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Protic Ionic Liquids ◽  
Dimer Formation ◽  
Opposite Charge

The Nature of Hydrogen Bonding in Protic Ionic Liquids

2013 ◽  
Vol 52 (17) ◽  
pp. 4623-4627 ◽  
Author(s):  
Robert Hayes ◽  
Silvia Imberti ◽  
Gregory G. Warr ◽  
Rob Atkin
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Protic Ionic Liquids
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