Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 andSc3N@Ih-C80(CF3)14
收藏Figshare2016-02-23 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Synthesis_Isolation_and_Addition_Patterns_of_Trifluoromethylated_i_D_i_sub_5_i_h_i_sub_and_i_I_i_sub_i_h_i_sub_Isomers_of_Sc_sub_3_sub_N_C_sub_80_sub_Sc_sub_3_sub_N_i_D_i_sub_5_i_h_i_sub_C_sub_80_sub_CF_sub_3_sub_sub_18_sub_andSc_sub_3_sub_N_i_I_i_sub_i_h/2662093
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资源简介：
Sc3N@D5h-C80 and Sc3N@Ih-C80 were trifluoromethylated with CF3I at 400 °C, affording mixtures of CF3 derivatives. After separation with HPLC, the first multi-CF3 derivative of Sc3N@D5h-C80, Sc3N@D5h-C80(CF3)18, and three new isomers of Sc3N@Ih-C80(CF3)14 were investigated by X-ray crystallography. The Sc3N@D5h-C80(CF3)18 molecule is characterized by a large number of double C−C bonds and benzenoid rings within the D5h-C80 cage and a fully different position of the Sc3N unit compared to that in the pristine Sc3N@D5h-C80. A detailed comparison of five Sc3N@Ih-C80(CF3)14 isomers reveals a strong influence of the exohedral additions on the behavior of the Sc3N cluster inside the Ih-C80 cage.
创建时间：
2016-02-23
