Photochemical addition of silirane to endohedral metallofullerene: Electronic properties of carbosilylated Sc₃N@I_h-C₈₀

The photochemical reaction of Sc₃N@I_h-C₈₀ with silirane 1 produced the corresponding carbosilylated derivatives. The electrochemical studies of [5,6]-adducts indicate that carbosilylation is an effective method for tuning moderately the electronic characteristics of Sc₃N@I_h-C₈₀. Density functional theory calculations were also conducted to offer a theoretical basis for the electronic properties of carbosilylated derivatives.