New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives

Fullerene C98 possesses 259 isomers obeying the isolated pentagon rule (IPR),
from which two, nos. 116 and 248, have been confirmed earlier as chloro
derivatives. High-temperature chlorination of C98-containing
mixtures afforded crystals of several chloro derivatives, and their
structure elucidation by X-ray crystallography revealed the presence
of new isomers, nos. 107, 109, and 120, in the fullerene soot. Evidence
for an isomer of no. 111 is also presented. In addition, a new chloride
of the known isomer 248 has been isolated and structurally studied.
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.

富勒烯C98拥有259种同分异构体，遵循孤立五角规则（IPR），其中编号为116和248的两种同分异构体此前已被确认为氯衍生物。对含有C98的混合物进行高温氯化，得到了多种氯衍生物的晶体。通过X射线晶体学对它们的结构解析揭示了富勒烯碳黑中存在新的同分异构体，编号分别为107、109和120，并提出了编号为111的同分异构体的证据。此外，已知同分异构体248的新氯化物已被分离并进行了结构研究。氯衍生物的氯化模式在讨论时，涉及富勒烯笼状结构中孤立C-C键和芳香亚结构的形成。