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Updated: Feb 13, 2026

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Published on: November 9, 2019
Versatility of chlorination-promoted skeletal transformation pathways in C76 fullerene
S M Sudarkova1, O N Mazaleva, R A Konoplev-Esgenburg
1Department of Chemistry, Moscow State University, 119991 Moscow, Leninskie gory, Russia. stroyano@thermo.chem.msu.ru ioffe@phys.chem.msu.ru.
Abstract:
We present the synthesis and crystal structure of a new chlorinated non-IPR isomer of C76 fullerene, 18387C76Cl30. The new chloride is formed from IPR-D2-C76via a sequence of chlorination-promoted Stone-Wales rearrangements concurrently with the previously known non-IPR compound 18917C76Cl24. A considerable difference between the two simultaneously forming non-IPR compounds suggests that higher fullerenes can exhibit a much higher versatility of skeletal transformations than the presently known compounds. Our theoretical analysis identifies yet further favorable Stone-Wales pathways in C76 and predicts several stable non-IPR and non-classical (i.e. heptagon-containing) C76 chlorides that may await experimental isolation.
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