Non-classical (NC), heptagon-containing fullerenes obtained via chlorination-promoted cage transformations: C76(NC2a)Cl24 and C76(NC2b)Cl28
Literature Information
Victor A. Brotsman, Sergey I. Troyanov
High-temperature chlorination of C76 fullerene with SbCl5 proceeds via five Stone–Wales rearrangements, resulting in non-classical (NC) C76(NC1a)Cl24 with two heptagons and 14 pentagons partically fused in pairs and triples. C76(NC2b)Cl28 with isomeric carbon cage was obtained by chlorination-promoted cage shrinkage of C80via two C2 losses. The pathways of skeletal cage trasformations, the chlorination patterns, and formation energies are discussed in detail.
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