Non-classical (NC), heptagon-containing fullerenes obtained via chlorination-promoted cage transformations: C76(NC2a)Cl24 and C76(NC2b)Cl28

Literature Information

Publication Date 2024-01-02
DOI 10.1039/D3CC05336A
Impact Factor 6.222
Authors

Victor A. Brotsman, Sergey I. Troyanov


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Abstract

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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