The cocrystallites that contain C60, C70 and endohedral metallofullerenes with metal complexes of macrocycles are reviewed. Metal complexes of porphyrin cocrystallites with fullerenes form solids with remarkably close contact between the curved π surface of a fullerene and the planar π surface of a porphyrin, without the need for matching convex with concave surfaces. The structures of metal octaethylporphyrins (oeps) in C60·Pd(II)(oep)·1.5C6H6, C60·Cu(II)(oep)·2C6H6, C60·Ag(II)(oep)·2C6H6 and C60·2Ni(II)(oep)·2C6H5Cl reveal the remarkable anti-formed oep configurations, with the four ethyl groups of the metal oep portions lying on both the same and the opposite sides of the porphyrin plane toward the C60. On the other hand, syn-formed metal oeps are observed in the many cases of metal oep compounds, suggesting that there is a face-to-face interaction between two adjacent oep planes. A new cocrystallite which exhibits a strong intermolecular interaction between fullerene C60 and the Co(tbp) is also reviewed, where tbp denotes a dianion of tetra(bis-tert-butylphenyl)porphyrin. The intermolecular interactions of the anti- and syn-formed metal oeps in the cocrystallites containing fullerenes are also described by DV-Xα molecular orbital calculation.
- DV-Xα molecular orbital calculation
- Fullerene C, C and endohedral metallofullerene
- Fullerene cocrystallites
- Porphyrin oep and tpp
- X-ray structural analysis