Structure of fullerene C60 in aqueous solution

Abstract

The structure of fullerene C₆₀ in aqueous solution was investigated both experimentally and theoretically. The fullerene C₆₀ was found to aggregate rapidly at room temperature. The aggregation kinetics results indicated that the structure of C₆₀ aggregates in water could be described as a fractal system. The optical absorption spectra obtained testify to the crystalline character of absorption. The formation in water of fractal structures and a crystalline phase from highly stable hydrated fullerene (C₆₀)₁₃ clusters (I_h symmetry group) was predicted using the molecular dynamics approach.