A link between structure, diffusion and rotations of hydrogen bonding tracers in ionic liquids
| Autor: | Ryan P. Daly, Claudio J. Margulis, Juan C. Araque |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
010304 chemical physics
Hydrogen bond General Physics and Astronomy Charge (physics) Link (geometry) 010402 general chemistry 01 natural sciences 0104 chemical sciences Ion Solvent chemistry.chemical_compound chemistry Computational chemistry Chemical physics 0103 physical sciences Ionic liquid Physics::Chemical Physics Physical and Theoretical Chemistry Diffusion (business) Imide |
| Zdroj: | The Journal of chemical physics. 144(20) |
| ISSN: | 1089-7690 |
| Popis: | When solutes are small compared to the size of the ions in an ionic liquid, energetic heterogeneities associated with charge enhanced (stiff) and charge depleted (soft) nanoenvironments are sampled. In a recent article [J. C. Araque et al., J. Phys. Chem. B 119(23), 7015-7029 (2015)], we explored large deviations from Stokes-Einstein translational diffusion caused by such a heterogeneity. The current article is set to explore the effect of soft and stiff solvent environments (i.e., structure) on OH-bond rotations in the case of water and small alcohols in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (Im1,2 (+)NTf2 (-)). Is solute rotational dynamics heterogeneous? If so, are solute rotations and translations coupled in the sense that stiff and soft solvent environments hinder or speed up both types of dynamics? For the systems studied here, there appears to be a clear connection between translations, rotations, and stiff/soft solvent environments. We also discuss interesting asymmetries of the correlation between solutes with anions and cations. |
| Databáze: | OpenAIRE |
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