Please use this identifier to cite or link to this item: https://repositorio.unifesp.br/handle/11600/37819
Title: Does the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids?
Authors: Chaban, Vitaly V.
Maciel, Cleiton
Fileti, Eudes Eterno [UNIFESP]
Univ Southern Denmark
Universidade Federal do ABC (UFABC)
Universidade Federal de São Paulo (UNIFESP)
Keywords: Fullerene
Buckyball
Ionic liquid
Solvation
Electronic structure
Molecular dynamics
Issue Date: 1-Jun-2014
Publisher: Springer
Citation: Journal of Solution Chemistry. New York: Springer/plenum Publishers, v. 43, n. 6, p. 1019-1031, 2014.
Abstract: Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C-60 fullerene and selected room-temperature ionic liquids, which can be applied in numerous applications, e.g. to significantly promote solubility/miscibility of the highly hydrophobic C-60 molecule. We report electron density and molecular dynamics analysis supported by the state-of-the-art hybrid density functional theory and empirical simulations with a specifically refined potential. the analysis suggests the workability of the proposed scheme and opens a new direction to obtain well-dispersed fullerene containing systems. A range of common molecular solvents and novel ionic solvents are compared to 1-butyl-3-methylimidazolium tetrafluoroborate.
URI: http://repositorio.unifesp.br/handle/11600/37819
ISSN: 0095-9782
Other Identifiers: http://dx.doi.org/10.1007/s10953-014-0155-6
Appears in Collections:Em verificação - Geral

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