Structure of 1,4,10,19,25,41-C70(CF3)6, isomer with unique arrangement of addends

A novel isomer of C70(CF3)6 has been isolated by HPLC from a mixture prepared by trifluoromethylation of C70 with CF3COOAg. The X-ray structure revealed an unprecedented arrangement of CF3 groups forming a p3mp ribbon. This result provides additional evidence of the preferable formation of trifluoromethylated fullerene molecules comprising a single continuous ribbon of edge-sharing para- and meta-C6(CF3)2 hexagons.

Graphical abstractMolecular structure of a novel isomer of C70(CF3)6 containing a p3mp ribbon of para- and meta-C6(CF3)2 hexagons is discussed in terms of thermodynamic (relative energy) and kinetic (free valence index) factors influencing its formation.Figure optionsDownload full-size imageDownload as PowerPoint slide