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

作者：Chaban Vitaly V^*; Maciel Cleiton; Fileti Eudes Eterno

来源：Journal of Solution Chemistry, 2014, 43(6): 1019-1031.

DOI：10.1007/s10953-014-0155-6

• Fullerene
• Buckyball
• Ionic liquid
• Solvation
• Electronic structure
• Molecular dynamics

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.

• 出版日期2014-6