Can Organic Ions Dissolve Fullerenes?

Abstract

Over 150 solvents have been so far probed to dissolve light fullerenes - with quite moderate success. Based on unusual electronic properties of the C60 fullerene and room-temperature ionic liquids (RTILs), we hereby propose to use their mutual polarizability to significantly promote solubility of C60. We report analysis supported by density functional theory with reliable hybrid functional and large-scale molecular dynamics simulations with specifically tuned empirical potential. The analysis suggests a workability of the proposed mechanism and provides qualitatively new insights into obtaining real fullerene solutions. Our preliminary findings open a wide avenue for engineering specific solvents for fullerenes and, possibly, some other nanoscale carbonaceous structures.