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Stokes’ shift dynamics in alkylimidazolium aluminate ionic liquids: Domination of solute-IL dipole–dipole interaction
- Source :
-
Chemical Physics Letters . Jul2011, Vol. 510 Issue 4-6, p202-207. 6p. - Publication Year :
- 2011
-
Abstract
- Abstract: A molecular theory is employed to predict the Stokes’ shift dynamics for a dipolar solute, C153, in six different alkylimidazolium ionic liquids (ILs) containing a fixed anion, tetra(hexafluoroisopropoxy)aluminate. Calculated shifts in these ILs at ∼343K range ∼2300–3700cm−1, and a dominating contribution (∼75–85%) arises from the solute-IL dipole–dipole interaction. Inclusion of solvent-libration predicts ∼50% ultrafast component in the total dynamics. Although the predicted dynamics is faster than in other ILs, calculated shifts follow the same linear correlation with ion size-ratio. Furthermore, model calculations explore the solute-IL size-ratio dependence of the interaction contributions to the shift, and investigates the relative importance of solvent rotational and translational modes for IL dynamics. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 00092614
- Volume :
- 510
- Issue :
- 4-6
- Database :
- Academic Search Index
- Journal :
- Chemical Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 61921319
- Full Text :
- https://doi.org/10.1016/j.cplett.2011.05.027