Solvation of AgTFSI in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid investigated by vibrational spectroscopy and DFT calculations

2015 ◽  
Vol 47 (4) ◽  
pp. 449-456 ◽  
Author(s):  
Tomin Liu ◽  
Yann Danten ◽  
Joseph Grondin ◽  
Rui Vilar
Keyword(s):  
Ionic Liquid ◽  
Dft Calculations ◽  
Vibrational Spectroscopy

Vibrational spectroscopy and DFT calculations of N,N′-dicyclohexylcarbodiimide

2011 ◽  
Vol 42 (2) ◽  
pp. 230-238 ◽  
Author(s):  
Babur Z. Chowdhry ◽  
Trevor J. Dines ◽  
Stephen A. Leharne ◽  
John P. Ryall ◽  
Iqbal T. Shadi ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Vibrational Spectroscopy

Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculations

2016 ◽  
Vol 222 ◽  
pp. 796-803 ◽  
Author(s):  
Stevan Armaković ◽  
Sanja J. Armaković ◽  
Milan Vraneš ◽  
Aleksandar Tot ◽  
Slobodan Gadžurić
Keyword(s):  
Ionic Liquid ◽  
Dft Calculations ◽  
Reactive Properties

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

Structural study and characterization of the dipeptide 2-[[5-amino-5-oxo-2-(phenylmethoxycarbonylamino) pentanoyl] amino] acetic acid by vibrational spectroscopy and DFT calculations

2013 ◽  
Vol 1031 ◽  
pp. 110-118 ◽  
Author(s):  
Patricio Leyton ◽  
Carolina Paipa ◽  
Andrés Berrios ◽  
Antonio Zárate ◽  
María Victoria Castillo ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Dft Calculations ◽  
Structural Study ◽  
Vibrational Spectroscopy

scholarly journals Ionic Liquids as Bifunctional Cosolvents Enhanced CO2 Conversion Catalysed by NADH-Dependent Formate Dehydrogenase

Catalysts ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 304 ◽  
Author(s):  
Zhibo Zhang ◽  
Bao-hua Xu ◽  
Jianquan Luo ◽  
Nicolas Solms ◽  
Hongyan He ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Dft Calculations ◽  
Formic Acid ◽  
Formate Dehydrogenase ◽  
Enzymatic Reaction ◽  
Reaction System ◽  
Co2 Concentration ◽  
Co2 Conversion ◽  
Low Co2

Efficient CO2 conversion by formate dehydrogenase is limited by the low CO2 concentrations that can be reached in traditional buffers. The use of ionic liquids was proposed as a manner to increase CO2 concentration in the reaction system. It has been found, however, that the required cofactor (NADH) heavily degraded during the enzymatic reaction and that acidity was the main reason. Acidity, indeed, resulted in reduction of the conversion of CO2 into formic acid and contributed to overestimate the amount of formic acid produced when the progression of the reaction was followed by a decrease in NADH absorbance (method N). Stability of NADH and the mechanism of NADH degradation was investigated by UV, NMR and by DFT calculations. It was found that by selecting neutral–basic ionic liquids and by adjusting the concentration of the ionic liquid in the buffer, the concentration of NADH can be maintained in the reaction system with little loss. Conversion of CO2 to methanol in BmimBF4 (67.1%) was more than twice as compared with the conversion attained by the enzymatic reaction in phosphate buffer (24.3%).

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
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