Bromination of [60]Fullerene. II. Crystal and Molecular Structure of [60]Fullerene Bromides, C₆₀Br₆, C₆₀Br₈, and C₆₀Br₂₄

Abstract

The crystal and molecular structures of the bromofullerene solvates C₆₀Br₆·0.5C₆H₅Cl·0.5Br₂, C₆₀Br₈·1.5(o‐C₆H₄Cl₂), C₆₀Br₈·Br₂, C₆₀Br₈·0.5C₆H₅Br·0.5Br₂, and C₆₀Br₂₄·2Br₂ have been determined by single crystal X‐ray diffraction. The molecular species C₆₀Br₆, C₆₀Br₈, and C₆₀Br₂₄ which have idealized C _s , C _2v  , and T _h symmetries, respectively, have several different types of C‒Br and C‒C bonds. A comparison between different solvates of the same bromofullerenes revealed a larger stability of the packing modes for the C₆₀Br₆ and C₆₀Br₂₄ solvates, whereas the C₆₀Br₈ solvates showed different packing motifs dependent on the nature and amount of the solvent molecules.

Keywords:

• Fullerenes
• Bromination
• Bromofullerenes
• C₆₀
• Molecular structure
• Crystal structure

Acknowledgments

We acknowledge partial financial support from Volkswagen Stiftung grant (I/77 855), Deutsche Forschungsgemeinschaft (Ke 489/20‐1), and RFBR (03‐03‐32855).