Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D

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• 作者：Shangfeng Yang ; Chuanbao Chen ; Mingzhi Jiao ; Nadezhda B. Tamm ; Maria A. Lanskikh ; Erhard Kemnitz ; Sergey I. Troyanov
• 刊名：Inorganic Chemistry
• 出版年：2011
• 出版时间：April 18, 2011
• 年：2011
• 卷：50
• 期：8
• 页码：3766-3771
• 全文大小：860K
• 年卷期：v.50,no.8(April 18, 2011)
• ISSN：1520-510X

文摘

Sc₃N@D_5h-C₈₀ and Sc₃N@I_h-C₈₀ were trifluoromethylated with CF₃I at 400 掳C, affording mixtures of CF₃ derivatives. After separation with HPLC, the first multi-CF₃ derivative of Sc₃N@D_5h-C₈₀, Sc₃N@D_5h-C₈₀(CF₃)₁₈, and three new isomers of Sc₃N@I_h-C₈₀(CF₃)₁₄ were investigated by X-ray crystallography. The Sc₃N@D_5h-C₈₀(CF₃)₁₈ molecule is characterized by a large number of double C鈭扖 bonds and benzenoid rings within the D_5h-C₈₀ cage and a fully different position of the Sc₃N unit compared to that in the pristine Sc₃N@D_5h-C₈₀. A detailed comparison of five Sc₃N@I_h-C₈₀(CF₃)₁₄ isomers reveals a strong influence of the exohedral additions on the behavior of the Sc₃N cluster inside the I_h-C₈₀ cage.