ic7b00568_si_004.cif (1.63 MB)
New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives
dataset
posted on 2017-04-17, 11:52 authored by Fei Jin, Shangfeng Yang, Sergey I. TroyanovFullerene 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 CC bonds and aromatic substructures
on the fullerene cages.
