Does the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids?
Chaban, Vitaly V.
Fileti, Eudes Eterno [UNIFESP]
Is part ofJournal of Solution Chemistry
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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.
CitationJournal of Solution Chemistry. New York: Springer/plenum Publishers, v. 43, n. 6, p. 1019-1031, 2014.
SponsorshipDanish Center for Scientific Computing
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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