A correlation-based predictor for pair-association in ionic liquids

Pair association in Ionic Liquids is an important quantity that affects many of their physical and chemical properties. However, the association constant is a complex function of the component ions as well as of the solvent environment, and no single theory can compute or predict it with quantitativ...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2011-07, Vol.13 (26), p.12138-12145
Main Authors: MAITI, A, ROGERS, R. D
Format: Article
Language:English
Subjects:
Attraction
Chemistry
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Correlation
Dielectric constant
Exact sciences and technology
General and physical chemistry
Hydrogen bonding
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Ionic liquids
Mathematical analysis
Mathematical models
Solvents
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Summary:Pair association in Ionic Liquids is an important quantity that affects many of their physical and chemical properties. However, the association constant is a complex function of the component ions as well as of the solvent environment, and no single theory can compute or predict it with quantitative accuracy. In this work we analyze infinite-dilution association data from a number of recent conductance measurements, and develop a linear model correlating the association constant with two relevant interaction energies, i.e., (1) the dielectrically screened Coulomb attraction and hydrogen bonding between ion-pairs, and (2) the ion solvation energy, which in turn takes into account solvent-specific interactions like hydrogen-bond acidity/basicity and hydrophobic/hydrophilic interactions. The results reveal the unique nature of water as a solvent in that it affects ionic association in ways qualitatively different from other common solvents.
ISSN:1463-9076
1463-9084
DOI:10.1039/c1cp21018a