Non-classical (NC), heptagon-containing fullerenes obtained via chlorination-promoted cage transformations: C 76 (NC2a)Cl 24 and C 76 (NC2b)Cl 28 .

Autor: Brotsman VA; Chemistry Department, Moscow State University, Leninskie gory, 119991 Moscow, Russia. brotsman_va@mail.ru., Troyanov SI; Chemistry Department, Moscow State University, Leninskie gory, 119991 Moscow, Russia. brotsman_va@mail.ru.
Jazyk: angličtina
Zdroj: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2024 Jan 18; Vol. 60 (7), pp. 893-896. Date of Electronic Publication: 2024 Jan 18.
DOI: 10.1039/d3cc05336a
Abstrakt: High-temperature chlorination of C 76 fullerene with SbCl 5 proceeds via five Stone-Wales rearrangements, resulting in non-classical (NC) C 76 (NC1a)Cl 24 with two heptagons and 14 pentagons partically fused in pairs and triples. C 76 (NC2b)Cl 28 with isomeric carbon cage was obtained by chlorination-promoted cage shrinkage of C 80 via two C 2 losses. The pathways of skeletal cage trasformations, the chlorination patterns, and formation energies are discussed in detail.
Databáze: MEDLINE