title: The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C98 Captured as Chlorides, C98(248)Cl22 and C98(116)Cl20.
abstract: High-temperature chlorination of pristine C98 fullerene isomers separated by HPLC from the fullerene soot afforded crystals of C98Cl22 and C98Cl20. An X-ray structure elucidation revealed, respectively, the presence of carbon cages of the most stable C2-C98(248) and rather unstable C1-C98(116), which represent the first isolated pentagon rule (IPR) isomers of fullerene C98 confirmed experimentally. 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.
authors.affiliation: CAS Key Laboratory of Materials for Energy Conversion & Department of Material Science and Engineering, University of Science and Technology of China (USTC), Hefei, 230026, China.
authors.forename: Song
authors.initials: S
authors.lastname: Wang
authors.affiliation: CAS Key Laboratory of Materials for Energy Conversion & Department of Material Science and Engineering, University of Science and Technology of China (USTC), Hefei, 230026, China. sfyang@ustc.edu.cn.
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.affiliation: Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Str.2, 12489, Berlin, Germany. erhard.kemnitz@chemie.hu-berlin.de.
authors.forename: Erhard
authors.initials: E
authors.lastname: Kemnitz
authors.affiliation: Chemistry Department, Moscow State University, 119991, Moscow, Leninskie gory, Russia. stroyano@thermo.chem.msu.ru.
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov
keywords: C98; HPLC; chlorination; higher fullerenes; structure elucidation