Sc(3)N@C(80) (I(h)) was trifluoromethylated with CF(3)I at 400 °C affording a mixture of CF(3) derivatives. Two isomers of Sc(3)N@C(80)(CF(3))(14) and Sc(3)N@C(80)(CF(3))(16) were separated by HPLC and investigated by X-ray crystallography. Detailed comparison of the four isomers revealed a strong influence of the exohedral CF(3) addition pattern on the behavior of the Sc(3)N cluster inside the C(80) fullerene cage.
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.
A mixture of higher fullerenes C(76)-C(96) was pentafluoroethylated with C(2)F(5)I at 250 °C affording a mixture of C(2)F(5) derivatives. After separation with high-performance liquid chromatography, the second C(2)F(5) derivative of C(84)(16), C(84)(C(2)F(5))(12), was investigated by X-ray crystallography and compared with the known isomer in terms of addition patterns and formation energies. Chlorination of a C(84) isomeric mixture with VCl(4) at 350-400 °C resulted in the formation of C(84)Cl(22). X-ray diffraction study revealed the superposition of several C(84)Cl(22) molecules with different isomeric C(84) cages but the same chlorination pattern.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.