New Trifluoromethylated Derivatives of Metal Nitride Clusterfullerenes: Sc_3N@I_h-C_(80)(CF_3)_(14) and Sc_3N@D_(5h)-C_(80)(CF_3)_(16)

摘要

Trifluoromethylated derivatives of Sc_3N@I_h-C_(80) and Sc_3N@D_(5h)-C_(80) were synthesized by the reaction with CF_3I at 440℃. HPLC separation of the mixture of Sc_3N@D_(5h)-C_(80)(CF_3)_n derivatives resulted in isolation and X-ray structure determination of Sc_3N@D_(5h)-C_(80)(CF_3)_(16), which represents a precursor of the known Sc_3N@D_(5h)-C_(80)(CF_3)_(18). Among the CF_3 derivatives of Sc_3N@I_h-C_(80), two new isomers of Sc_3N@I_h-C_(80)(CF_3)_(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 Sc_3N cluster relative to the I_h-C_(80) fullerene cage were established. In particular, Sc-14-VII represents a direct precursor of the known Sc_3N@I_h-C_(80)(CF_3)_(16)-II. All molecular structures exhibit an ordered position of a Sc_3N cluster inside the fullerene C_(80) cage.