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

scholarly journals Comprehensive study on the impact of the cation alkyl side chain length on the solubility of water in ionic liquids

2015 ◽  
Vol 210 ◽  
pp. 264-271 ◽  
Author(s):  
Kiki A. Kurnia ◽  
Catarina M.S.S. Neves ◽  
Mara G. Freire ◽  
Luís M.N.B.F. Santos ◽  
João A.P. Coutinho
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Side Chain Length ◽  
The Impact ◽  
Comprehensive Study

scholarly journals Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Shen Li ◽  
Yanting Wang
Keyword(s):  
Phase Transition ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Chain Length ◽  
Complex Fluids ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Side Chain ◽  
Side Chains ◽  
Side Chain Length

Abstract Due to their complex molecular structures and interactions, phase behaviors of complex fluids are quite often difficult to be identified by common phase transition analysis methods. Percolation phase transition, on the other hand, only monitors the degree of connection among particles without strict geometric requirements such as translational or orientational order, and thus suitable for pinpointing phase transitions of complex fluids. As typical complex fluids, ionic liquids (ILs) exhibit phases beyond the description of simple liquid theories. In particular, with an intermediate cationic side-chain length, ILs can form the nanoscale segregated liquid (NSL) state, which will eventually transform into the ionic liquid crystal (ILC) structure when the side chains are adequately long. However, the microscopic mechanism of this transformation is still unclear. In this work, by means of coarse-grained molecular dynamics simulation, we show that, with increasing cationic side-chain length, some local pieces of non-polar domains are gradually formed by side chains aligned in parallel inside the NSL phase, before an abrupt percolation phase transition happens when the system transforms into the ILC phase. This work not only identifies that the NSL to ILC phase transition is a critical phenomenon, but also demonstrates the importance of percolation theory to complex fluids.

Effect of Side-Chain Length on Structural and Dynamic Properties of Ionic Liquids with Hydroxyl Cationic Tails

2014 ◽  
Vol 118 (13) ◽  
pp. 3642-3649 ◽  
Author(s):  
Kuo Wei ◽  
Li Deng ◽  
Yanting Wang ◽  
Zhong-Can Ou-Yang ◽  
Guodong Wang
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Dynamic Properties ◽  
Side Chain ◽  
Side Chain Length

The role of the cation aliphatic side chain length in piperidinium bis(trifluoromethansulfonyl)imide ionic liquids

2011 ◽  
Vol 57 ◽  
pp. 153-159 ◽  
Author(s):  
Maria Montanino ◽  
Maria Carewska ◽  
Fabrizio Alessandrini ◽  
Stefano Passerini ◽  
Giovanni B. Appetecchi
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Side Chain ◽  
Side Chain Length ◽  
Aliphatic Side Chain

Investigation of the influence of alkyl side chain length on the fluorescence response of C153 in a series of room temperature ionic liquids

RSC Advances ◽  
2015 ◽  
Vol 5 (52) ◽  
pp. 41585-41594 ◽  
Author(s):  
Sudhir Kumar Das ◽  
Debashis Majhi ◽  
Prabhat Kumar Sahu ◽  
Moloy Sarkar
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Room Temperature ◽  
Side Chain ◽  
Room Temperature Ionic Liquids ◽  
Alkyl Side Chain ◽  
Side Chain Length ◽  
Fluorescence Response

Variation of average solvation time with the product of temperature averaged viscosity and the radius of the cation of different room temperature ionic liquids (RTILs) with varying cationic chain length.

Probing the effects of the ester functional group, alkyl side chain length and anions on the bulk nanostructure of ionic liquids: a computational study

2016 ◽  
Vol 18 (14) ◽  
pp. 9734-9751 ◽  
Author(s):  
Mostafa Fakhraee ◽  
Mohammad Reza Gholami
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Functional Group ◽  
Computational Study ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Side Chain Length

The effects of ester addition on nanostructural properties of biodegradable ILs.

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