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

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.

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

The Journal of Physical Chemistry B ◽

10.1021/jp410168t ◽

2014 ◽

Vol 118 (13) ◽

pp. 3642-3649 ◽

Cited By ~ 8

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

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Imidazolium based ionic liquids in soils: effects of the side chain length on wheat (Triticum aestivum) and cress (Lepidium sativum) as affected by different clays and organic matter

Green Chemistry ◽

10.1039/b717811e ◽

2008 ◽

Vol 10 (5) ◽

pp. 584 ◽

Cited By ~ 69

Author(s):

Marianne Matzke ◽

Stefan Stolte ◽

Jürgen Arning ◽

Ute Uebers ◽

Juliane Filser

Keyword(s):

Triticum Aestivum ◽

Organic Matter ◽

Ionic Liquids ◽

Chain Length ◽

Lepidium Sativum ◽

Side Chain ◽

Side Chain Length

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Effects of alkyl side-chain length on binding with bovine serum albumin, cytotoxicity, and antibacterial properties of 1-alkyl-3-methylimidazolium dicyanamide ionic liquids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116835 ◽

2021 ◽

pp. 116835

Author(s):

Tingting Guo ◽

Xiaojuan Wang ◽

Yang Shu ◽

Jianhua Wang

Keyword(s):

Ionic Liquids ◽

Bovine Serum Albumin ◽

Serum Albumin ◽

Chain Length ◽

Bovine Serum ◽

Antibacterial Properties ◽

Side Chain ◽

Alkyl Side Chain ◽

Side Chain Length

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

Electrochimica Acta ◽

10.1016/j.electacta.2011.03.089 ◽

2011 ◽

Vol 57 ◽

pp. 153-159 ◽

Cited By ~ 71

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

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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 ◽

10.1039/c4ra16864j ◽

2015 ◽

Vol 5 (52) ◽

pp. 41585-41594 ◽

Cited By ~ 17

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.

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