Electronic-level insight into the weak interactions of ion pairs in acetate anion-based ionic liquids

2020 ◽  
Vol 303 ◽  
pp. 112668
Author(s):  
Jing Ma ◽  
Xueqing Yang ◽  
Yutong Wang ◽  
Baohe Wang
Keyword(s):  
Ionic Liquids ◽  
Weak Interactions ◽  
Ion Pairs ◽  
Acetate Anion ◽  
Electronic Level ◽  
Insight Into

Dynamics of Ion Locking in Doubly Polymerized Ionic Liquids

2020 ◽  
Author(s):  
Swati Arora ◽  
Julisa Rozon ◽  
Jennifer Laaser
Keyword(s):  
Dielectric Constant ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Ion Pairs ◽  
Polymer Chains ◽  
Ion Motion ◽  
Charged Species ◽  
Broadband Dielectric Spectroscopy ◽  
Covalently Linked ◽  
Insight Into

<div>In this work, we investigate the dynamics of ion motion in “doubly-polymerized” ionic liquids (DPILs) in which both charged species of an ionic liquid are covalently linked to the same polymer chains. Broadband dielectric spectroscopy is used to characterize these materials over a broad frequency and temperature range, and their behavior is compared to that of conventional “singly-polymerized” ionic liquids (SPILs) in which only one of the charged species is attached to the polymer chains. Polymerization of the DPIL decreases the bulk ionic conductivity by four orders of magnitude relative to both SPILs. The timescales for local ionic rearrangement are similarly found to be approximately four orders of magnitude slower in the DPILs than in the SPILs, and the DPILs also have a lower static dielectric constant. These results suggest that copolymerization of the ionic monomers affects ion motion on both the bulk and the local scales, with ion pairs serving to form strong physical crosslinks between the polymer chains. This study provides quantitative insight into the energetics and timescales of ion motion that drive the phenomenon of “ion locking” currently under investigation for new classes of organic electronics.</div>

Dynamics of Ion Locking in Doubly Polymerized Ionic Liquids

2020 ◽  
Author(s):  
Swati Arora ◽  
Julisa Rozon ◽  
Jennifer Laaser
Keyword(s):  
Dielectric Constant ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Ion Pairs ◽  
Polymer Chains ◽  
Ion Motion ◽  
Charged Species ◽  
Broadband Dielectric Spectroscopy ◽  
Covalently Linked ◽  
Insight Into

<div>In this work, we investigate the dynamics of ion motion in “doubly-polymerized” ionic liquids (DPILs) in which both charged species of an ionic liquid are covalently linked to the same polymer chains. Broadband dielectric spectroscopy is used to characterize these materials over a broad frequency and temperature range, and their behavior is compared to that of conventional “singly-polymerized” ionic liquids (SPILs) in which only one of the charged species is attached to the polymer chains. Polymerization of the DPIL decreases the bulk ionic conductivity by four orders of magnitude relative to both SPILs. The timescales for local ionic rearrangement are similarly found to be approximately four orders of magnitude slower in the DPILs than in the SPILs, and the DPILs also have a lower static dielectric constant. These results suggest that copolymerization of the ionic monomers affects ion motion on both the bulk and the local scales, with ion pairs serving to form strong physical crosslinks between the polymer chains. This study provides quantitative insight into the energetics and timescales of ion motion that drive the phenomenon of “ion locking” currently under investigation for new classes of organic electronics.</div>

The Structure of Imidazolium-Based Ionic Liquids: Insights From Ion-Pair Interactions

2007 ◽  
Vol 60 (1) ◽  
pp. 9 ◽  
Author(s):  
Patricia A. Hunt ◽  
Ian R. Gould ◽  
Barbara Kirchner
Keyword(s):  
Ionic Liquids ◽  
Melting Point ◽  
Ion Pairs ◽  
Liquid Structure ◽  
High Viscosity ◽  
Ion Pair ◽  
Low Viscosity ◽  
Association Energy ◽  
Dynamics Simulations ◽  
Insight Into

A large number of ab-initio (B3LYP/6–31++G(d,p)) computed ion-pair structures have been examined in order to determine if such calculations are capable of offering insight into the physical properties of the liquid state, particularly viscosity and melting point. Ion pairings based around the 1-butyl-3-methylimidazolium (C4C1im) cations and a range of anions (Cl, BF4, and N(Tf)2 where N(Tf)2 is bis(trifluoromethylsulfonly)imide) were chosen because of the range of viscosities exhibited by the corresponding ionic liquids. We have used these results to build up a ‘picture’ of the ionic liquid structure which is consistent with molecular dynamics simulations and experimental evidence. However, further work is required to established if such an analysis could be predictive. Nevertheless, we establish clear relationships relating ion-pair association energy, a derived ‘connectivity index’, and the diversity of structures with viscosity and melting point. Our calculations indicate that ions in C4C1imCl form a strong, highly connected and regular array thus rationalizing the high viscosity and melting point. In contrast the ion-pairs of C4C1imN(Tf)2 form a weakly interacting, highly disordered, and low connectivity network consistent with the low viscosity and melting point. C4C1imBF4 lies midway between these two extremes.

Insight into the structure-antibacterial activity of amino cation-based and acetate anion-based ionic liquids from computational interactions with the POPC phospholipid bilayer

2020 ◽  
Vol 22 (27) ◽  
pp. 15573-15581 ◽  
Author(s):  
Weizhong Zheng ◽  
Wei Huang ◽  
Zhongchen Song ◽  
Zisheng Tang ◽  
Weizhen Sun
Keyword(s):  
Antibacterial Activity ◽  
Ionic Liquids ◽  
Lipid Bilayer ◽  
Phospholipid Bilayer ◽  
Acetate Anion ◽  
Insight Into

The cations of ionic liquids are found to insert into a lipid bilayer, resulting in bilayer disruption.

Delivery of ionizable hydrophilic drugs based on pharmaceutical formulation of ion pairs and ionic liquids

2020 ◽  
Vol 156 ◽  
pp. 203-218 ◽  
Author(s):  
Alexander Gamboa ◽  
Nina Schüßler ◽  
Eduardo Soto-Bustamante ◽  
Patricio Romero-Hasler ◽  
Lorenz Meinel ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Ion Pairs ◽  
Pharmaceutical Formulation ◽  
Hydrophilic Drugs

scholarly journals Effect of Ionic Liquids on the Physical Properties of the Newly Synthesized Conducting Polymer

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Dong Uk Lee ◽  
Jin Yeong Jeong ◽  
Ji Woong Han ◽  
Gi-Chung Kwon ◽  
Pankaj Attri ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Ionic Liquids ◽  
Conducting Polymer ◽  
Optical Devices ◽  
Polymer Mixtures ◽  
Confocal Raman Spectroscopy ◽  
Vis Spectroscopy ◽  
Film Roughness ◽  
Confocal Raman ◽  
Insight Into

Conducting polymer has many applications in electronics, optical devices, sensors, and so on; however, there is still a massive scope of improvement in this area. Therefore, towards this aim, in this study, we synthesized a new thiophene-based conducting polymer, 2-heptadecyl-5-hexyl-6-(5-methylthiophen-2-yl)-4-(5-((E)-prop-1-enyl)thiophen-2-yl)-5H-pyrrolo[3,4-d]thiazole (HHMPT). Further, to increase its application, the interactions between the conducting polymer (HHMPT) and ionic liquids (ILs) were investigated by UV-Vis spectroscopy, FTIR spectroscopy, and confocal Raman spectroscopy techniques. Moreover, film roughness and conductivity of the polymer film with or without ILs were also studied. The imidazolium- and ammonium family ILs with the potential to interact with the newly synthesized conducting polymer were used. The results of the interaction studies revealed that the imidazolium family IL-polymer mixtures and ammonium family IL-polymer mixtures have almost similar conductivity at low concentration of ILs. This study provides an insight into the combined effect of a polymer and ILs and may generate many theoretical and experimental opportunities.

scholarly journals Insight into molecular-level interactions between imidazolium-based ionic liquids and cellulose combining NMR, SAXS and MD simulations

2019 ◽  
Vol 75 (a1) ◽  
pp. a268-a268
Author(s):  
Aparna Annamraju ◽  
Nicholas D. Smith ◽  
Loukas Petridis ◽  
Hugh O'Neill ◽  
Sai Venkatesh Pingali ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Level ◽  
Md Simulations ◽  
Insight Into
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