The structure of buckminsterfullerene compounds

Abstract

An understanding of the principles required for the preparation of pure buckminsterfullerene (C60) derivatives of known addition number and pattern, and C60 containing materials of known composition and structure, is necessary for the development of C60 chemistry. Single crystal X-ray diffraction is a powerful tool for the determination of the structures of C60 compounds, seven examples of which are described here. C60 is brominated by Br2 in a variety of solvents to give either C60Br6 or C60Br8, depending upon the particular solvent used. Crystals of C60Br6.Br2.CCl4 (1), C60Br6.xBr2 (x ≈ 2) (2), and C60Br8.xBr2 (x ≈2) (3) are obtained from CCl4, C6H6, and CS2 respectively. Cocrystallization of C60 and I2 from C6H5CH3 solution yields the intercalate C60.I2.C6H5CH3 (4), and slow evaporation of C6H6 solutions of C60 gives crystals of the solvate C60.4C6H6 (5). Mixing of saturated C6H6 solutions of C60 and η5-C5H5)2Fe gives a dark red solution from which black crystals of C60.[(η5-C5H5)2Fe]2 (6) are deposited. In a similar manner cocrystallisation of C60 and (η5-C5H5)4Fe4(CO)4 from C6H6 solution yields black crystals of the intercalate C60.(η5-C5H5)4Fe4(CO)4.3C6H6 (7).