Catalysis in Ionic Liquids

Pârvulescu, Vasile I.; Hardacre, Christopher

doi:10.1021/cr050948h

Cited by 2,236 publications

(1,141 citation statements)

References 520 publications

Supporting

Mentioning

1,096

Contrasting

Unclassified

Order By: Relevance

“…2,3 Due to their outstanding features, ILs have been studied as more environmentally benign solvent media in a large number of applications, such as in organic and inorganic synthesis, catalysis, polymerization, and separation/extraction processes. [4][5][6][7][8] The motivation behind the booming research on ILs is not only a result of their excellent properties, 9 but also an outcome of their tuneable character. Their physicochemical properties can be tailored to suit a specific function by changing their ion chemical structures, including the incorporation of functionalized groups; thus, they are often referred to as "designer solvents".…”

Section: Introductionmentioning

confidence: 99%

Hydrogen-bond acidity of ionic liquids: an extended scale

Kurnia

Lima

Cláudio

et al. 2015

Phys. Chem. Chem. Phys.

100

View full text Add to dashboard Cite

One of the main drawbacks comprising an appropriate selection of ionic liquids (ILs) for a target application is related to the lack of an extended and well-established polarity scale for these neoteric fluids. Albeit considerable progress has been made on identifying chemical structures and factors that influence the polarity of ILs, there still exists a high inconsistency in the experimental values reported by different authors. Furthermore, due to the extremely large number of possible ILs that can be synthesized, the experimental characterization of their polarity is a major limitation when envisaging the choice of an IL with a desired polarity. Therefore, it is of crucial relevance to develop correlation schemes and a priori predictive methods able to forecast the polarity of new (or not yet synthesized) fluids. In this context, and aiming at broadening the experimental polarity scale available for ILs, the solvatochromic Kamlet-Taft parameters of a broad range of bis(trifluoromethylsulfonyl)imide-([NTf 2 ] − )-based fluids were determined. The impact of the IL cation structure on the hydrogen-bond donating ability of the fluid was comprehensively addressed. Based on the large amount of novel experimental values obtained, we then evaluated COSMO-RS, COnductor-like Screening MOdel for Real Solvents, as an alternative tool to estimate the hydrogen-bond acidity of ILs. A three-parameter model based on the cation-anion interaction energies was found to adequately describe the experimental hydrogen-bond acidity or hydrogen-bond donating ability of ILs. The proposed three-parameter model is also shown to present a predictive capacity and to provide novel molecular-level insights into the chemical structure characteristics that influence the acidity of a given IL. It is shown that although the equimolar cation-anion hydrogen-bonding energies (E HB ) play the major role, the electrostaticmisfit interactions (E MF ) and van der Waals forces (E vdW ) also contribute, admittedly in a lower extent, towards the hydrogen-bond acidity of ILs. The new extended scale provided for the hydrogen-bond acidity of ILs is of high value for the design of new ILs for task-specific applications. † Electronic supplementary information (ESI) available: Comparison between experimental and literature solvatochromic values; correlation between experimental and predicted hydrogen-bond acidity; equation to calculate the absolute relative deviation. See

show abstract

Section: Introductionmentioning

confidence: 99%

Hydrogen-bond acidity of ionic liquids: an extended scale

Kurnia

Lima

Cláudio

et al. 2015

Phys. Chem. Chem. Phys.

100

View full text Add to dashboard Cite

show abstract

“…Recent studies [4][5][6][7][8] have shown that all of the components of biomass are soluble in ionic liquids (ILs), salts that are liquid below 373 K and are green solvent candidates for a number of applications. [9][10][11][12][13] The viscosity of such solutions rises rapidly with biomass dissolution, making it difficult to pump such solutions and causing a reduction in mass transfer rates. As a consequence, there is an interest in understanding how the viscosity of ionic liquids change with the dissolution of carbohydrates and what can be done to reduce the viscosity of such solutions by the addition of a cosolvent.…”

Section: Introductionmentioning

confidence: 99%

Viscosities of the Mixtures of 1-Ethyl-3-Methylimidazolium Chloride with Water, Acetonitrile and Glucose: A Molecular Dynamics Simulation and Experimental Study

et al. 2010

View full text Add to dashboard Cite

A recently improved ionic liquid force field was used to compute the viscosity for binary and ternary mixtures of 1-ethyl-3-methylimidazolium chloride ([emim][Cl]) with water, acetonitrile, and glucose. For the same systems, experimental viscosity data are provided. The simulation and experimental results were in reasonable agreement. Simulations consistently overestimate the viscosities for the mixtures of [emim][Cl] and glucose while the viscosities of the mixtures of glucose and water are well reproduced. Both experiments and simulations show that the addition of acetonitrile reduces the viscosity of a solution of [emim][Cl] and glucose by more than an order of magnitude.

show abstract

“…The use of IL is of high current interest for catalysis (Parvulescu and Hardacre 2007), biocatalysis and other applications are emerging. ILs are often discussed as the alternative to organic solvents in view of sustainable and ultimately "green" processes.…”

Section: Introductionmentioning

confidence: 99%

Ionic liquids in biotechnology: applications and perspectives for biotransformations

Roosen

Müller

Greiner

2008

Appl Microbiol Biotechnol

162

View full text Add to dashboard Cite

Ionic liquids are considered as an alternative to organic solvents for catalysis. The literature in this field is reviewed with focus on advantageous use of ionic liquids in biocatalysis and biotransformations. The overview reveals that the exploration and mapping of ionic liquids with respect to biocatalysis is still sketchy. It is apparent that advantages can be gained in view of activity, stability and selectivity. Furthermore, integration of reaction and separation has a high potential in the field. The review presents quantitative data on the productivities, space-time yields, as well as stability as far as they can be extracted from the literature.

show abstract

Catalysis in Ionic Liquids

Cited by 2,236 publications

References 520 publications

Hydrogen-bond acidity of ionic liquids: an extended scale

Hydrogen-bond acidity of ionic liquids: an extended scale

Viscosities of the Mixtures of 1-Ethyl-3-Methylimidazolium Chloride with Water, Acetonitrile and Glucose: A Molecular Dynamics Simulation and Experimental Study

Ionic liquids in biotechnology: applications and perspectives for biotransformations

Contact Info

Product

Resources

About