Switching of hydrogen bonds of water in ionic liquid, 1‐butyl‐3‐methylimidazolium tetrafluoroborate

Yoshimura, Yukihiro; Takekiyo, Takahiro; Okamoto, Chikara; Hatano, Naohiro; Abe, Hiroshi

doi:10.1002/jrs.4197

Cited by 13 publications

(7 citation statements)

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“…Previous studies have shown water will primarily hydrogen bond with anions rather than cations. 51,52,59 The calculated RDFs and SDFs indicate that water resides close to the anions near hydrogen bonding acceptor atoms. Hydrogen bonding occupancy between anions and water was therefore calculated by normalizing the number of water molecules to allow a direct comparison of anions.…”

Section: ■ Resultsmentioning

confidence: 99%

“…The polar nature of ILs causes strong interactions between ions and water. Previous work has shown that hydrogen bonds are important descriptors for characterizing the structure of both pure ILs − and IL/water mixtures. ,, The energetic and geometric criteria used to describe a hydrogen bond can vary significantly in the literature. ,,, In this work, a geometric criterion shown in Figure was used to define hydrogen bonds. , …”

Section: Computational Detailsmentioning

confidence: 99%

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Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids

2016

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Molecular dynamics simulations were used to compare water solubilities and the effects of water on the structure and dynamics of ionic liquids (ILs) composed of phosphonium cations paired with azolide and phenolate anions. The addition of water decreases ordering of the ions compared to the dry ILs with the exception of anion-anion ordering in the phenolate IL. The result is that the dynamics of the azolide ionic liquids increase significantly upon addition of water, whereas the phenolate IL dynamics show little change. The relative water solubilities were compared through calculation of Henry's law constants. Water is much more soluble in the phenolate IL due to strong hydrogen bonding interactions between water and the phenolate oxygen atom. Anions can therefore be selected to control IL-water hydrogen bonding for optimal performance in applications such as CO separation.

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Section: ■ Resultsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids

2016

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“…Based on the above experimental results, a mechanism for superadhesion and self-healing is illustrated schematically in Figure . The bridging effect of BF 4 – formed strong interactions between the imidazolium cation on the backbone and −OH on the substrates through ionic and hydrogen bonds. , In addition, the compatibility between PIL and IL allows the flexible motion of polymeric chains, validated by the low T g from DSC (Figure S11), thus facilitating interface wetting and resulting in the IG sheet being successfully anchored on the substrates. According to different interfaces, the hydrophobic group (butyl group) and hydrophilic group (imidazole ring) in the IG also played certain roles in interfacial bonding.…”

Section: Resultsmentioning

confidence: 99%

Self-Healable, Recyclable, and Ultrastrong Adhesive Ionogel for Multifunctional Strain Sensor

Xiang

Zheng

Chen

2021

ACS Appl. Mater. Interfaces

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Flexible electronic materials have aroused significant interest due to the need for flexible electronics in a variety of applications. However, several obstacles such as low mechanical properties, interfacial adhesion problems, and nonreusability hinder their rapid development. Here, an ionogel was developed by a onestep photopolymerization of an ionic liquid (IL) with the CC bond of 1-vinyl-3-butylimidazolium tetrafluoroborate in another ionic liquid solution of 1-butyl-3-methylimidazolium tetrafluoroborate without a chemical cross-linker. The poly(ionic liquid) and the ionic liquid (PIL/IL) were highly compatible and resulted in an extremely uniform, stable, and optically transparent PIL/IL ionogel. In addition, this method also avoided complicated solvent replacement in the preparation processes of common ionogels. Our experimental and theoretical results showed that the reported ionogel integrated excellent mechanical properties, ultrastrong adhesive, self-healability, and recyclability. These remarkable advantages were benefited from the strong electrostatic force and other noncovalent bond interactions in the ionogel system. The unique ionogel presented in this study is therefore an ideal candidate material for self-adhesive and reusable wearable electronics.

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“…Three different water populations can be identified as network water (NW), multimer water (MW), and intermediate water (IW). They manifest as subpeaks at 2280–2380, 2550–2700, and 2400–2540 cm –1 , respectively. − The NW molecules are organized in a tetrahedrally ordered hydrogen-bonding network to form an icelike structure, whereas the non-H-bonded or weakly H-bonded water molecules are designated as MW. The IW molecules are involved in a distorted hydrogen-bonding network with neighboring molecules other than water.…”

Section: Results and Discussionmentioning

confidence: 99%

Molecular-Level Insights into the Microstructure of a Hydrated and Nanoconfined Deep Eutectic Solvent

et al. 2019

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Despite the recent advancements in the field of deep eutectic solvents (DESs), their high viscosity often prevents practical applications. A versatile strategy to overcome this problem is either to add a co-solvent or to confine the DES inside a nanoscaled self-organized system. This work assesses the microstructures of a hydrated and nanoconfined DES comprising benzyltripropylammonium chloride [BTPA]Cl and ethylene glycol (EG). They act as a hydrogen-bond acceptor and a donor, respectively. The hydrogen bonding between [BTPA]Cl and EG in the DES (i.e., BTEG) and the molecular states of water in the hydrated BTEG were studied by Raman spectroscopy. The results show different hydrogen-bonding associations between water–water and water–BTEG or EG molecules. In addition, we investigated the confinement effects of BTEG in a Polysorbate 80 (Tween-80)/cyclohexane reverse micellar (RM) system. The results are compared with those of an ionic liquid-encapsulated RM system. The formation, bonding characteristics, and thermal stability of the RM droplets were studied by solubilization, dynamic light scattering, rheology, and Raman spectroscopy experiments. Furthermore, it is shown that hydrogen bonding between the DES and the surfactant leads to a stable RM system. Interestingly, the viscosity of the RM system is significantly lower than that of the neat DES suggesting that DESs have a much wider practical applicability in the form of RMs.

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Switching of hydrogen bonds of water in ionic liquid, 1‐butyl‐3‐methylimidazolium tetrafluoroborate

Cited by 13 publications

References 50 publications

Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids

Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids

Self-Healable, Recyclable, and Ultrastrong Adhesive Ionogel for Multifunctional Strain Sensor

Molecular-Level Insights into the Microstructure of a Hydrated and Nanoconfined Deep Eutectic Solvent

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