Nanostructural organization in carbon disulfide/ionic liquid mixtures: Molecular dynamics simulations and optical Kerr effect spectroscopy

Nanostructural organization in carbon disulfide/ionic liquid mixtures: Molecular dynamics simulations and optical Kerr effect spectroscopy

In this paper, the nanostructural organization and subpicosecond intermolecular dynamics in the mixtures of CS 2 and the room temperature ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C 5 mim][NTf 2 ]) were studied as a function of concentration using molecula...

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Veröffentlicht in:The Journal of chemical physics 2011-07, Vol.135 (3), p.034502-034502-12
Hauptverfasser: Yang, Peng, Voth, Gregory A., Xiao, Dong, Hines, Larry G., Bartsch, Richard A., Quitevis, Edward L.
Format: Artikel
Sprache:eng
Schlagworte:
Carbon Disulfide - chemistry
Ionic Liquids - chemistry
Molecular Dynamics Simulation
Nanostructures - chemistry
Spectrum Analysis, Raman
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Zusammenfassung:In this paper, the nanostructural organization and subpicosecond intermolecular dynamics in the mixtures of CS 2 and the room temperature ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C 5 mim][NTf 2 ]) were studied as a function of concentration using molecular dynamics (MD) simulations and optical heterodyne-detected Raman-induced Kerr effect spectroscopy. At low CS 2 concentrations (
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3601752