Vibrational spectroscopy of imidazolium-based ionic liquids: A combined MD/DFT study

2019 ◽  
Vol 292 ◽  
pp. 111282 ◽  
Author(s):  
Jiannan Liu ◽  
Hyunjin Kim ◽  
Nilesh R. Dhumal ◽  
Hyung J. Kim
Keyword(s):  
Ionic Liquids ◽  
Vibrational Spectroscopy ◽  
Dft Study

DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids

2021 ◽  
Vol 125 (5) ◽  
pp. 1416-1428
Author(s):  
Jing Ma ◽  
Yutong Wang ◽  
Xueqing Yang ◽  
Mingxuan Zhu ◽  
Baohe Wang
Keyword(s):  
Ionic Liquids ◽  
Dft Study ◽  
Protic Ionic Liquids ◽  
Absorption Mechanism ◽  
Chemical Absorption

Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

2021 ◽  
pp. 116251
Author(s):  
M.A. Olea-Amezcua ◽  
J.E. Castellanos-Águila ◽  
H. HernÁndez-Cocoletzi ◽  
E. Ferreira ◽  
M. Trejo-Durán ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Dft Study ◽  
Side Chain ◽  
Side Chain Length ◽  
Nlo Properties

Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide’s point of view

2015 ◽  
Vol 142 (21) ◽  
pp. 212425 ◽  
Author(s):  
Thomas Brinzer ◽  
Eric J. Berquist ◽  
Samrat Dutta ◽  
Clinton A. Johnson ◽  
Cullen S. Krisher ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Vibrational Spectroscopy ◽  
Carbon Capture ◽  
Point Of View ◽  
2D Ir ◽  
Ultrafast Vibrational Spectroscopy

Two-dimensional ultrafast vibrational spectroscopy of azides in ionic liquids reveals solute-specific solvation

2015 ◽  
Vol 17 (40) ◽  
pp. 26575-26579 ◽  
Author(s):  
Samrat Dutta ◽  
Zhe Ren ◽  
Thomas Brinzer ◽  
Sean Garrett-Roe
Keyword(s):  
Ionic Liquids ◽  
Vibrational Spectroscopy ◽  
Two Dimensional ◽  
Specific Solvation ◽  
2D Ir ◽  
Ir Studies ◽  
Ultrafast Vibrational Spectroscopy

2D-IR studies of organic and inorganic azides dissolved in ionic liquids show different solvation structures and picosecond dynamics.

scholarly journals The electronic structure of ionic liquids based on the TFSI anion: A gas phase UPS and DFT study

2019 ◽  
Vol 294 ◽  
pp. 111580 ◽  
Author(s):  
Ivar Kuusik ◽  
Mati Kook ◽  
Rainer Pärna ◽  
Antti Kivimäki ◽  
Tanel Käämbre ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Gas Phase ◽  
Dft Study
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