scholarly journals Probing the impact of the N3-substituted alkyl chain on the electronic environment of the cation and the anion for 1,3-dialkylimidazolium ionic liquids

2020 ◽  
Vol 22 (30) ◽  
pp. 17394-17400
Author(s):  
Shuang Men ◽  
Yujuan Jin ◽  
Peter Licence
Keyword(s):  
Ionic Liquids ◽  
Alkyl Chain ◽  
Imidazolium Cations ◽  
Electronic Environment ◽  
The Impact

XPS is used to probe the impact of the N3-substituted alkyl chain on the electronic environment of the cation and the anion by comparing two types of imidazolium cations, 1-alkyl-3-butylimidazolium and 1-alkyl-3-methylimidazolium.

scholarly journals Thermal stability of imidazolium-based ionic liquids

2016 ◽  
Vol 4 (1) ◽  
pp. 51-64 ◽  
Author(s):  
Léa Chancelier ◽  
Olivier Boyron ◽  
Thibaut Gutel ◽  
Catherine Santini
Keyword(s):  
Thermal Stability ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Alkyl Chain ◽  
Alkyl Chain Length ◽  
Van Der Waals Interactions ◽  
Alkyl Chains ◽  
Coulombic Interactions ◽  
The Impact ◽  
Thermal Stability Of

This work highlights the factors tuning the thermal stability of imidazolium-based ionic liquids (IL) associated to bis(trifluoromethanesulfonyl)imide anion [NTf2]. The decomposition temperatures (Td) were evaluated by thermogravimetric analyses (TGA) with optimized parameters to obtain reproducible Td. The impact of the alkyl chain length and of the presence of functional groups and unsaturations on Td were evaluated. The thermal behaviour was governed by Van der Waals interactions between alkyl chains, and by inter and intra coulombic interactions such as hydrogen bonds.

Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids

2015 ◽  
Vol 44 (33) ◽  
pp. 14666-14672 ◽  
Author(s):  
Bing An ◽  
Jun-Li Wang ◽  
Yan Bai ◽  
Dong-Bin Dang
Keyword(s):  
Ionic Liquids ◽  
Alkyl Chain ◽  
Systematic Design ◽  
Acid System ◽  
Imidazolium Cations ◽  
Secondary Building Units ◽  
Chain Lengths

A cobalt-1,4-naphthalenedicarboxylic acid system in a systematic series of ionic liquids with different alkyl chain lengths of imidazolium cations governed the construction of four MOFs with regular changes of secondary building units (SBUs).

scholarly journals Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length

Molecules ◽  
2020 ◽  
Vol 25 (21) ◽  
pp. 4972
Author(s):  
Jule Philipp ◽  
Ralf Ludwig
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Chain Length ◽  
Alkyl Chain ◽  
Kinetic Stability ◽  
Alkyl Chain Length ◽  
Coupling Constants ◽  
Imidazolium Cations

We explore quantum chemical calculations for studying clusters of hydroxyl-functionalized cations kinetically stabilized by hydrogen bonding despite strongly repulsive electrostatic forces. In a comprehensive study, we calculate clusters of ammonium, piperidinium, pyrrolidinium, imidazolium, pyridinium, and imidazolium cations, which are prominent constituents of ionic liquids. All cations are decorated with hydroxy-alkyl chains allowing H-bond formation between ions of like charge. The cluster topologies comprise linear and cyclic clusters up to the size of hexamers. The ring structures exhibit cooperative hydrogen bonds opposing the repulsive Coulomb forces and leading to kinetic stability of the clusters. We discuss the importance of hydrogen bonding and dispersion forces for the stability of the differently sized clusters. We find the largest clusters when hydrogen bonding is maximized in cyclic topologies and dispersion interaction is properly taken into account. The kinetic stability of the clusters with short-chained cations is studied for the different types of cations ranging from hard to polarizable or exhibiting additional functional groups such as the acidic C(2)-H position in the imidazolium-based cation. Increasing the alkyl chain length, the cation effect diminishes and the kinetic stability is exclusively governed by the alkyl chain tether increasing the distance between the positively charged rings of the cations. With adding the counterion tetrafluoroborate (BF4−) to the cationic clusters, the binding energies immediately switch from strongly positive to strongly negative. In the neutral clusters, the OH functional groups of the cations can interact either with other cations or with the anions. The hexamer cluster with the cyclic H-bond motive and “released” anions is almost as stable as the hexamer built by H-bonded ion pairs exclusively, which is in accord with recent IR spectra of similar ionic liquids detecting both types of hydrogen bonding. For the cationic and neutral clusters, we discuss geometric and spectroscopic properties as sensitive probes of opposite- and like-charge interaction. Finally, we show that NMR proton chemical shifts and deuteron quadrupole coupling constants can be related to each other, allowing to predict properties which are not easily accessible by experiment.

Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions

2011 ◽  
Vol 13 (34) ◽  
pp. 15523 ◽  
Author(s):  
Corine Tourné-Péteilh ◽  
Jean-Marie Devoisselle ◽  
André Vioux ◽  
Patrick Judeinstein ◽  
Martin In ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Alkyl Chain ◽  
Surfactant Properties ◽  
Imidazolium Cations

scholarly journals Raman Spectroscopy Characterization of Dissolved Polysilicon Byproduct SiCl4 in Ionic Liquids

2018 ◽  
Vol 2018 ◽  
pp. 1-5
Author(s):  
Cheng Cheng ◽  
Chenglong Zhang ◽  
Jiachao Jiang ◽  
En Ma ◽  
Jianfeng Bai ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Alkyl Chain ◽  
Silicon Tetrachloride ◽  
Imidazolium Ionic Liquid ◽  
Imidazolium Cations ◽  
Chain Lengths

Silicon tetrachloride (SiCl4) is the main byproducts of the polysilicon industries. The dissolution behaviors of SiCl4 in imidazolium ionic liquid, including [Bmim]OTf, [Bmim]NTf2, [Hmim]NTf2, and [Omim]NTf2, were investigated for recycling Si from SiCl4. Raman spectroscopy was used to understand the combination between the ionic liquid and SiCl4, and the conductivity of ionic liquids in different conditions was determined. The results indicated that [Bmim]NTf2 exhibited a better SiCl4 dissolving capacity compared to [Bmim]OTf, longer alkyl chain lengths in the imidazolium cations of the ionic liquids exhibited a better performance in dissolving SiCl4, and [Bmim]NTf2 : PC = 1 : 2 exhibited the best conductivity. In addition, molecular bondings between C-Cl, Si-O-Si, and C-Si were formed between the ionic liquids and SiCl4.

scholarly journals X-ray photoelectron spectroscopy of piperidinium ionic liquids: a comparison to the charge delocalised pyridinium analogues

2020 ◽  
Vol 22 (21) ◽  
pp. 11976-11983
Author(s):  
Shuang Men ◽  
Peter Licence ◽  
Chi-Linh Do-Thanh ◽  
Huimin Luo ◽  
Sheng Dai
Keyword(s):  
Ionic Liquids ◽  
Photoelectron Spectroscopy ◽  
X Ray ◽  
Electronic Environment ◽  
The Impact

X-ray photoelectron spectroscopy is used to probe the impact of charge delocalisation on the electronic environment of the cation and the anion.

scholarly journals Design rules for environmental biodegradability of phenylalanine alkyl ester linked ionic liquids

2020 ◽  
Vol 22 (14) ◽  
pp. 4498-4508
Author(s):  
Morten Suk ◽  
Annette Haiß ◽  
Janin Westphal ◽  
Andrew Jordan ◽  
Andrew Kellett ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Alkyl Chain ◽  
Alkyl Ester ◽  
Head Group ◽  
Design Rules ◽  
The Impact

In this study, the impact of the length of the alkyl chain and cationic head group on the environmental biodegradability of l-phenylalanine ester derived ILs was systematically studied.

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