The subpicosecond intermolecular dynamics of mixtures of the ionic liquid (IL) [C5C1im][NTf2] with CS2 and CH3CN were studied using OKE spectroscopy. To provide guidance in understanding the OKE spectra of these mixtures, molecular dynamics simulations of these systems were performed. In the case of CS2/IL mixtures, the OKE spectra are interpreted in terms of an additivity model with the components arising from CS2 and the IL. The IL-component is unaffected by the presence of CS2, whereas the CS2-component is narrower and lower in frequency than the OKE spectrum of neat of CS2, which is consistent with CS2 molecules being localized in the nonpolar domains. In the case of CH3CN/IL mixtures, the experimental spectra are broader than the volume-fraction weighted sums of the neat CH3CN and IL spectra. This result is rationalized in terms of the interactions between CH3CN molecules and the polar domains.

Optical Kerr effect spectroscopy and molecular dynamics simulations of nonpolar and polar molecules in ionic liquids

243rd National Meeting (2012)

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