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At low CS2 concentrations (&amp;lt;10 mol.% CS2\/IL), the MD simulations indicate that the CS2 molecules are localized in the nonpolar domains. In contrast, at higher concentrations (\u226510 mol.% CS2\/IL), the MD simulations show aggregation of the CS2 molecules. The optical Kerr effect (OKE) spectra of the mixtures are interpreted in terms of an additivity model with the components arising from the subpicosecond dynamics of CS2 and the IL. Comparison of the CS2-component with the OKE spectra of CS2 in alkane solvents is consistent with CS2 mainly being localized in the nonpolar domains, even at high CS2 concentrations, and the local CS2 concentration being higher than the bulk CS2 concentration.<\/jats:p>","DOI":"10.1063\/1.3601752","type":"journal-article","created":{"date-parts":[[2011,7,18]],"date-time":"2011-07-18T22:27:47Z","timestamp":1311028067000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":55,"title":["Nanostructural organization in carbon disulfide\/ionic liquid mixtures: Molecular dynamics simulations and optical Kerr effect spectroscopy"],"prefix":"10.1063","volume":"135","author":[{"given":"Peng","family":"Yang","sequence":"first","affiliation":[{"name":"University of Utah 1 Department of Physics, , Salt Lake City, Utah 84112, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gregory A.","family":"Voth","sequence":"additional","affiliation":[{"name":"University of Chicago 2 Department of Chemistry, James Franck Institute and Computation Institute, , 5735 S. 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