OKE spectroscopy and molecular dynamics simulations of nonpolar and polar molecules in ionic liquids

Edward L. Quitevis, Fehmi Bardak, Dong Xiao, Larry G. Hines, Pillhun Son, Richard A. Bartsch, Peng Yang, Gregory A. Voth

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

3 Scopus citations

Abstract

The intermolecular dynamics of mixtures of [Csmim] [NTf2] with CS2 and CH3CN were studied using OKE spectroscopy. To help understand the OKE spectra of these mixtures, MD simulations of these systems were performed. The OKE spectra are interpreted in terms of an additivity model with the spectrum of CS2 in the IL being narrower and lower in frequency than that of neat CS2 and the spectrum of CH3CN in the IL being broader and higher in frequency than that of neat CH 3CN. These results are consistent with the simulations that show the IL to be nanosegregated with CS2 molecules residing in the nonpolar domains and CH3CN molecules residing at the interface between the polar and nonpolar domains.

Original languageEnglish
Title of host publicationIonic Liquids
Subtitle of host publicationScience and Applications
PublisherAmerican Chemical Society
Pages271-287
Number of pages17
ISBN (Print)9780841227637
DOIs
StatePublished - Dec 18 2012

Publication series

NameACS Symposium Series
Volume1117
ISSN (Print)0097-6156
ISSN (Electronic)1947-5918

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