Does the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids?

dc.contributor.authorChaban, Vitaly V.
dc.contributor.authorMaciel, Cleiton
dc.contributor.authorFileti, Eudes Eterno [UNIFESP]
dc.contributor.institutionUniv Southern Denmark
dc.contributor.institutionUniversidade Federal do ABC (UFABC)
dc.contributor.institutionUniversidade Federal de São Paulo (UNIFESP)
dc.date.accessioned2016-01-24T14:37:22Z
dc.date.available2016-01-24T14:37:22Z
dc.date.issued2014-06-01
dc.description.abstractOver 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.en
dc.description.affiliationUniv Southern Denmark, MEMPHYS Ctr Biomembrane Phys, DK-5230 Odense M, Denmark
dc.description.affiliationUniv Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210270 Santo Andre, SP, Brazil
dc.description.affiliationUniversidade Federal de São Paulo, Inst Ciencia & Tecnol, BR-12231280 Sao Jose Dos Campos, SP, Brazil
dc.description.affiliationUnifespUniversidade Federal de São Paulo, Inst Ciencia & Tecnol, BR-12231280 Sao Jose Dos Campos, SP, Brazil
dc.description.sourceWeb of Science
dc.description.sponsorshipDanish Center for Scientific Computing
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIDDanish Center for Scientific Computing: Horseshoe 5
dc.format.extent1019-1031
dc.identifierhttp://dx.doi.org/10.1007/s10953-014-0155-6
dc.identifier.citationJournal of Solution Chemistry. New York: Springer/plenum Publishers, v. 43, n. 6, p. 1019-1031, 2014.
dc.identifier.doi10.1007/s10953-014-0155-6
dc.identifier.issn0095-9782
dc.identifier.urihttp://repositorio.unifesp.br/handle/11600/37819
dc.identifier.wosWOS:000338667000003
dc.language.isoeng
dc.publisherSpringer
dc.relation.ispartofJournal of Solution Chemistry
dc.rightsAcesso restrito
dc.rights.licensehttp://www.springer.com/open+access/authors+rights?SGWID=0-176704-12-683201-0
dc.subjectFullereneen
dc.subjectBuckyballen
dc.subjectIonic liquiden
dc.subjectSolvationen
dc.subjectElectronic structureen
dc.subjectMolecular dynamicsen
dc.titleDoes the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids?en
dc.typeArtigo
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