2013/11/09 by Vitaly V. Chaban, Chaban, Vitaly V., Cleiton Maciel +3
Chemical Engineering · Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Fullerene Chemistry and Applications #Ionic liquids properties and applications #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.1311.2119
openalex publication_date 2013/11/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 (RTILs), which can be applied in numerous applications, e.g. to significantly promote solubility/miscibility of 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 a 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.