Studying electronic transport in polyazulene–ionic liquid systems using infrared vibrational spectroscopy

2011 ◽  
Vol 13 (23) ◽  
pp. 11254 ◽  
Author(s):  
Anna Österholm ◽  
Pia Damlin ◽  
Carita Kvarnström ◽  
Ari Ivaska
Keyword(s):  
Ionic Liquid ◽  
Vibrational Spectroscopy ◽  
Electronic Transport ◽  
Liquid Systems

DFT and vibrational spectroscopy study of 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

2019 ◽  
Vol 1175 ◽  
pp. 663-676 ◽  
Author(s):  
Jonas Kausteklis ◽  
Valdemaras Aleksa ◽  
Maximiliano A. Iramain ◽  
Silvia Antonia Brandán
Keyword(s):  
Ionic Liquid ◽  
Vibrational Spectroscopy ◽  
Spectroscopy Study

scholarly journals Corrosion properties of steel in 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid systems for desulfurization application

RSC Advances ◽  
2017 ◽  
Vol 7 (77) ◽  
pp. 48526-48536 ◽  
Author(s):  
Qian Zeng ◽  
Jinwei Zhang ◽  
Hongye Cheng ◽  
Lifang Chen ◽  
Zhiwen Qi
Keyword(s):  
Weight Loss ◽  
Ionic Liquid ◽  
Hydrogen Sulfate ◽  
Corrosion Properties ◽  
Liquid Systems

The corrosivity of [BMIM]HSO4-based systems for desulfurization applications were investigated by weight loss and surface analyses.

Radionuclide and tensiometry approaches to studying lysozyme behaviors in water–ionic liquid systems

2017 ◽  
Vol 27 (3) ◽  
pp. 296-298 ◽  
Author(s):  
Maria G. Chernysheva ◽  
Alena E. Averina ◽  
Oxana A. Soboleva ◽  
Gennadii A. Badun
Keyword(s):  
Ionic Liquid ◽  
Approaches To Studying ◽  
Liquid Systems

Interfacial tension and wetting behavior of air/oil/ionic liquid systems

2007 ◽  
Vol 285 (14) ◽  
pp. 1601-1605 ◽  
Author(s):  
Takashi Matsuda ◽  
Yu Mishima ◽  
Saeid Azizian ◽  
Hiroki Matsubara ◽  
Takanori Takiue ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Interfacial Tension ◽  
Wetting Behavior ◽  
Liquid Systems

scholarly journals The effect of the morpholinium ionic liquid anion on the catalytic activity of Rh (or Pt) complex–ionic liquid systems in hydrosilylation processes

RSC Advances ◽  
2018 ◽  
Vol 8 (47) ◽  
pp. 26922-26927 ◽  
Author(s):  
Magdalena Jankowska-Wajda ◽  
Izabela Dąbek ◽  
Ryszard Fiedorow ◽  
Hieronim Maciejewski
Keyword(s):  
Ionic Liquid ◽  
Catalytic Activity ◽  
Ionic Liquids ◽  
Platinum Complexes ◽  
Pt Complex ◽  
Liquid Systems

Rhodium and platinum complexes were immobilized in morpholinium ionic liquids, the effect of which on the catalytic activity was determined.

Molecular Dynamics Simulation of Thermodynamic Properties for CO2/Ionic Liquid Systems

2009 ◽  
Vol 25 (11) ◽  
pp. 2291-2295
Author(s):  
WANG Wei-Bin ◽  
◽  
◽  
YIN Jian-Zhong ◽  
SUN Li-Hua ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Thermodynamic Properties ◽  
Dynamics Simulation ◽  
Liquid Systems

scholarly journals Current Status of AMOEBA–IL: A Multipolar/Polarizable Force Field for Ionic Liquids

2020 ◽  
Vol 21 (3) ◽  
pp. 697
Author(s):  
Erik Antonio Vázquez-Montelongo ◽  
José Enrique Vázquez-Cervantes ◽  
G. Andrés Cisneros
Keyword(s):  
Ionic Liquid ◽  
Force Field ◽  
Decomposition Analysis ◽  
Lanthanide Ions ◽  
Current Status ◽  
Energy Decomposition Analysis ◽  
Quantum Mechanical ◽  
Exchange Reactions ◽  
Polarizable Force Field ◽  
Liquid Systems

Computational simulations of ionic liquid solutions have become a useful tool to investigate various physical, chemical and catalytic properties of systems involving these solvents. Classical molecular dynamics and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of IL systems have provided significant insights at the atomic level. Here, we present a review of the development and application of the multipolar and polarizable force field AMOEBA for ionic liquid systems, termed AMOEBA–IL. The parametrization approach for AMOEBA–IL relies on the reproduction of total quantum mechanical (QM) intermolecular interaction energies and QM energy decomposition analysis. This approach has been used to develop parameters for imidazolium– and pyrrolidinium–based ILs coupled with various inorganic anions. AMOEBA–IL has been used to investigate and predict the properties of a variety of systems including neat ILs and IL mixtures, water exchange reactions on lanthanide ions in IL mixtures, IL–based liquid–liquid extraction, and effects of ILs on an aniline protection reaction.

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