Temperature dependence of the microstructure of 1-butyl-3-methylimidazolium tetrafluoroborate in aqueous solution

Wang, Jianji; Zhang, Lamei

doi:10.1016/j.vibspec.2013.05.008

Cited by 10 publications

(4 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…3 where it is observed that the amount of associated water rises with addition of water in IL sharply for X IL < 0. 40 In the present study DLS measurements show that (Fig. 6 and Table 1), for mixtures with 0.020 # X IL < 0.079, aggregates with hydrodynamic diameter of 354-590 nm are formed.…”

Section: Resultssupporting

confidence: 61%

“…32,33 Wang et al carried out 1 H NMR, dynamic light scattering (DLS) and ATR-IR spectroscopic studies to investigate the effect of concentration and temperature on microstructure of IL in binary mixtures of [BMIM][BF 4 ] and water and showed that with decrease in temperature, the interactions between cation and anion of the IL become stronger, but those between the IL and water weaken. 40 Most of the research works conducted so far mainly involve the analysis of OH band in MIR region where bands for different water species are highly overlapped making the analysis difficult. The OH band of monomeric and polymeric water species are well separated in NIR than the MIR region.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular level interactions in binary mixtures of 1-ethyl 3-methylimidazolium tetrafluoroborate and water

et al. 2015

View full text Add to dashboard Cite

show abstract

Section: Resultssupporting

confidence: 61%

Section: Introductionmentioning

confidence: 99%

Molecular level interactions in binary mixtures of 1-ethyl 3-methylimidazolium tetrafluoroborate and water

et al. 2015

View full text Add to dashboard Cite

show abstract

“…IL-H 2 O binary mixtures have been studied extensively. − Water was regarded as an “impurity” for ILs since water can interact with ILs (through hydrogen bonding) and further affect IL properties. Thus, the phase separation temperature depends on the composition of the IL and individually added proportions of IL and H 2 O. Solubility of water in ILs was determined by both the cation and anion, and the anion has greater impact on the phase behavior.…”

Section: Thermomorphic Systems Based On Ionic Liquids (Ils)mentioning

confidence: 99%

Temperature-Responsive Ionic Liquids: Fundamental Behaviors and Catalytic Applications

et al. 2017

View full text Add to dashboard Cite

Temperature-responsive ionic liquids (ILs), their fundanmental behaviors, and catalytic applications were introduced, especially the concepts of upper critical solution temperature (UCST) and lower critical solution temperature (LCST). It is described that, during a catalytic reaction, they form a homogeneous mixture with the reactants and products at reaction temperature but separate from them afterward at ambient conditions. It is shown that this behavior offers an effective alternative approach to overcome gas/liquid-solid interface mass transfer limitations in many catalytic transformations. It should be noted that IL-based thermomorphic systems are rarely elaborated until now, especially in the field of catalytic applications. The aim of this article is to provide a comprehensive review about thermomorphic mixtures of an IL with HO and/or organic compounds. Special focus is laid on their temperature dependence concerning UCST and LCST behavior, including systems with conventional ILs, metal-containing ILs, polymerized ILs, as well as the thermomorphic behavior induced via host-guest complexation. A wide range of applications using thermoregulated IL systems in chemical catalytic reactions as well as enzymatic catalysis were also demonstrated in detail. The conclusion is drawn that, due to their highly attractive behavior, thermoregulated ILs have already and will find more applications, not only in catalysis but also in other areas.

show abstract

“…Indeed, the conductivity values go through a maximum around this composition, with higher values in the mixtures of these ILs with AN. Furthermore, vibrational spectroscopic techniques, such as IR, Raman, and nuclear magnetic resonance (NMR) spectroscopy, were used to analyze the interionic and ion-solvent interactions in mixtures of imidazolium-based ILs with molecular solvents. − The results show that significant changes in the C–H (or the cation ring) vibration modes as well as the 1 H chemical shift occur at low IL content. This was correlated with the modulation, by changing the mixture composition, of the balance between intercomponent interactions, such as interionic (dominating at very high IL mole fractions), ion–solvent, and solvent–solvent interactions in the mixtures.…”

Section: Introductionmentioning

confidence: 99%

Insight to the Local Structure of Mixtures of Imidazolium-Based Ionic Liquids and Molecular Solvents from Molecular Dynamics Simulations and Voronoi Analysis

et al. 2023

View full text Add to dashboard Cite

While the physicochemical properties as well as the NMR and vibration spectroscopic data of the mixtures of ionic liquids (ILs) with molecular solvents undergo a drastic change around the IL mole fraction of 0.2, the local structure of the mixtures pertaining to this behavior remains unclear. In this work, the local structure of 12 mixtures of 1-butyl-3-methylimidazolium cation (C 4 mim + ) combined with perfluorinated anions, such as tetrafluoroborate (BF 4 − ), hexafluorophosphate (PF 6 − ), trifluoromethylsulfonate (TFO − ), and bis(trifluoromethanesulfonyl)imide, (TFSI − ), and aprotic dipolar solvents, such as acetonitrile (AN), propylene carbonate (PC), and gamma butyrolactone (γ-BL) is studied by molecular dynamics simulations in the entire composition range, with an emphasis on the IL mole fractions around 0.2. Distributions of metric properties corresponding to the Voronoi polyhedra of the particles (volume assigned to the particles, local density, radius of spherical voids) are determined, using representative sites of the cations, anions, and the solvent molecules, to characterize the changes in the local structure of these mixtures. By analyzing the mole fraction dependence of the average value, fluctuation, and skewness parameter of these distributions, the present study reveals that, around the IL mole fraction of 0.2, the local structure of the mixture undergoes a transition between that determined by the interionic interactions and that determined by the interactions between the ions and solvent molecules. It should be noted that the strength of the interactions between the ions and the solvent molecules, modulated by the change in the composition of the mixture, plays an important role in the occurrence of this transition. The signature of the change in the local structure is traced back to the nonlinear change of the mean values, fluctuations, and skewness values of the metric Voronoi polyhedra distributions.

show abstract

Temperature dependence of the microstructure of 1-butyl-3-methylimidazolium tetrafluoroborate in aqueous solution

Cited by 10 publications

References 31 publications

Molecular level interactions in binary mixtures of 1-ethyl 3-methylimidazolium tetrafluoroborate and water

Molecular level interactions in binary mixtures of 1-ethyl 3-methylimidazolium tetrafluoroborate and water

Temperature-Responsive Ionic Liquids: Fundamental Behaviors and Catalytic Applications

Insight to the Local Structure of Mixtures of Imidazolium-Based Ionic Liquids and Molecular Solvents from Molecular Dynamics Simulations and Voronoi Analysis

Contact Info

Product

Resources

About