title: New trifluoromethylated derivatives of metal nitride clusterfullerenes: Sc₃N@I(h)-C₈₀ (CF₃)₁₄ and Sc₃N@D(5h)-C₈₀ (CF₃)₁₆.
abstract: Trifluoromethylated derivatives of Sc3N@I(h)-C80 and Sc3N@D(5h)-C80 were synthesized by the reaction with CF3I at 440 °C. HPLC separation of the mixture of Sc3N@D(5h)-C80(CF3)n derivatives resulted in isolation and X-ray structure determination of Sc3N@D(5h)-C80(CF3)16, which represents a precursor of the known Sc3N@D(5h)-C80(CF3)18. Among the CF3 derivatives of Sc3N@I(h)-C80, two new isomers of Sc3N@I(h)-C80(CF3)14 (Sc-14-VI and Sc-14-VII) were isolated by HPLC, and their molecular structures were determined by X-ray diffraction, thus enabling a comprehensive comparison of altogether seven isomers. Two types of addition patterns with different orientations of the Sc3N cluster relative to the I(h)-C80 fullerene cage were established. In particular, Sc-14-VII represents a direct precursor of the known Sc3N@I(h)-C80(CF3)16-II. All molecular structures exhibit an ordered position of a Sc3N cluster inside the fullerene C80 cage.
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion & Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China), Fax: (+86) 551-3601750.
authors.forename: Tao
authors.initials: T
authors.lastname: Wei
authors.forename: Nadezhda B
authors.initials: NB
authors.lastname: Tamm
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov
keywords: Sc3N cluster; addition pattern; endohedral fullerenes; structure elucidation; trifluoromehylation