New Isolated‐Pentagon‐Rule Isomers of Fullerene C96 Captured as Chloro Derivatives

Fullerene C 96 possesses 187 isomers obeying the isolated pentagon rule (IPR), from which five, nos. 144, 145, 175, 176 and 183, have been confirmed earlier as chloro derivatives, whereas two isomers in pristine form, nos. 3 and 181, have been detected in fullerene soot as adducts with Ni porphyrinates. High‐temperature chlorination of C 96 ‐containing mixtures afforded crystals of several chloro derivatives C 96 Cl 22/24/26 and the structure elucidation by X‐ray crystallography with the use of synchrotron radiation revealed the presence of new isomers nos. 127, 129, 143, and 146 in the fullerene soot. The structural data on new chloro derivatives C 96 (144)Cl 18/24 have been also obtained. The chlorination patterns of the chlorides are discussed in terms of the formation of isolated C=C bonds and aromatic substructures on the fullerene cages. An overview of all structurally confirmed isomers of C 96 fullerene is presented.