Characterization of the Bis-Silylated Endofullerene Sc₃N@C₈₀

The photochemical reaction of Sc3N@C80 with 1,1,2,2-tetramesityl-1,2-disilirane affords the adduct as a bis-silylated product. The adduct was characterized by NMR spectroscopy and single-crystal X-ray structure analysis. The dynamic behavior of the disilirane moiety and the encapsulated Sc3N cluster were also investigated. The unique redox property of the adduct is reported by means of CV and DPV. Experimental results were confirmed by density functional calculations.Sc₃N@C₈₀与1,1,2,2-四均三甲苯基-1,2-二硅杂环丁烷（1,1,2,2-tetramesityl-1,2-disilirane）发生光化学反应，生成双硅基化加合产物。该加合物通过核磁共振波谱法（Nuclear Magnetic Resonance, NMR）与单晶X射线结构分析完成表征。本研究同时考察了二硅杂环丁烷基团与内嵌Sc₃N团簇的动态行为。此外，本文通过循环伏安法（Cyclic Voltammetry, CV）与差分脉冲伏安法（Differential Pulse Voltammetry, DPV）报道了该加合物独特的氧化还原特性。实验结果通过密度泛函计算得到了验证。