The structural characterization of buckminsterfullerene compounds

• Published in: Journal of molecular structure 1993-03, Vol.292, p.1-8
• Main Authors: Birkett, Paul R., Crane, Jonathan D., Hitchcock, Peter B., Kroto, Harold W., Meidine, Mohamed F., Taylor, Roger, Walton, David R.M.
• Format: Article
• Language: English
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Exact sciences and technology; Physics; Studies of special atoms, molecules and their ions; clusters
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/0022-2860(93)80085-A

The chemistry of buckminsterfullerene (C 60) is in its infancy and an understanding of the principles for the preparation of pure C 60 derivatives of known addition pattern and C 60 materials of known composition is necessary for its development. Single crystal X-ray diffraction is a powerful tool for the determination of the structures of C 60 compounds, five examples of which are described here. C 60 is brominated by Br 2 in a variety of solvents to give either C 60Br 6 or C 60Br 8, depending upon the particular solvent used. Crystals of C 60Br 6.Br 2.CCl 4 ( 1), C 60Br 6.2Br 2 ( 2), and C 60Br 8.2Br 2 ( 3) were obtained from CCl 4, C 6H 6, and CS 2 respectively. Slow evaporation of C 6H 6 solutions of C 60 gives crystals of C 60.4C 6H 6 ( 4). Mixing of saturated C 6H 6 solutions of C 60 and ferrocene gives a dark red solution from which crystals of C 60.2ferrocene ( 5) are deposited.