Photoinduced electron transfer in nano-Saturn complexes of fullerene

Abstract

The photoinduced electron transfer is studied computationally in several Saturn-shaped inclusion complexes of carbo-aromatic rings and C₆₀ fullerene – C₇₂⊃C₆₀, C₉₆⊃C₆₀, C₁₂₀⊃C₆₀, and C₁₆₈⊃C₆₀. Analysis of their structural and electronic properties shows that the charge separation process is efficient in C₁₂₀⊃C₆₀ and C₁₆₈⊃C₆₀ where the host molecule resembles the conjugated [24]circulene unit. In contrast, the electron transfer is not feasible in the complexes of the oligophenylene-based rings C₇₂⊃C₆₀ and C₉₆⊃C₆₀.