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Journal of Solution Chemistry

, Volume 43, Issue 6, pp 1019–1031 | Cite as

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

  • Vitaly V. Chaban
  • Cleiton Maciel
  • Eudes Eterno Fileti
Article

Abstract

Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C60 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 C60 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.

Graphical Abstract

Keywords

Fullerene Buckyball Ionic liquid Solvation Electronic structure Molecular dynamics 

Notes

Acknowledgments

The computations have been partially supported by the Danish Center for Scientific Computing (Horseshoe 5). C. M. and E. E. F. thank Brazilian agencies FAPESP and CNPq for support.

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • Vitaly V. Chaban
    • 1
  • Cleiton Maciel
    • 2
  • Eudes Eterno Fileti
    • 3
  1. 1.MEMPHYS - Center for Biomembrane PhysicsUniversity of Southern DenmarkOdense MDenmark
  2. 2.Centro de Ciências Naturais e HumanasUniversidade Federal do ABCSanto AndréBrazil
  3. 3.Instituto de Ciência e TecnologiaUniversidade Federal de São PauloSão José dos CamposBrazil

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