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Title: Synthesis, isolation, and addition patterns of trifluoromethylated D5h and I(h) isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@I(h)-C80(CF3)14. Author: Yang S, Chen C, Jiao M, Tamm NB, Lanskikh MA, Kemnitz E, Troyanov SI. Journal: Inorg Chem; 2011 Apr 18; 50(8):3766-71. PubMed ID: 21417230. Abstract: Sc(3)N@D(5h)-C(80) and Sc(3)N@I(h)-C(80) were trifluoromethylated with CF(3)I at 400 °C, affording mixtures of CF(3) derivatives. After separation with HPLC, the first multi-CF(3) derivative of Sc(3)N@D(5h)-C(80), Sc(3)N@D(5h)-C(80)(CF(3))(18), and three new isomers of Sc(3)N@I(h)-C(80)(CF(3))(14) were investigated by X-ray crystallography. The Sc(3)N@D(5h)-C(80)(CF(3))(18) molecule is characterized by a large number of double C-C bonds and benzenoid rings within the D(5h)-C(80) cage and a fully different position of the Sc(3)N unit compared to that in the pristine Sc(3)N@D(5h)-C(80). A detailed comparison of five Sc(3)N@I(h)-C(80)(CF(3))(14) isomers reveals a strong influence of the exohedral additions on the behavior of the Sc(3)N cluster inside the I(h)-C(80) cage.[Abstract] [Full Text] [Related] [New Search]