The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C98 Captured as Chlorides, C98(248)Cl22 and C98(116)Cl20

Song Wang; Shangfeng Yang; Erhard Kemnitz; Sergey I Troyanov

doi:10.1002/chem.201504556

The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C98 Captured as Chlorides, C98(248)Cl22 and C98(116)Cl20

Chemistry. 2016 Apr 4;22(15):5138-41. doi: 10.1002/chem.201504556. Epub 2016 Feb 25.

Authors

Song Wang¹, Shangfeng Yang², Erhard Kemnitz³, Sergey I Troyanov⁴

Affiliations

¹ 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.
² 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.
³ Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Str.2, 12489, Berlin, Germany. erhard.kemnitz@chemie.hu-berlin.de.
⁴ Chemistry Department, Moscow State University, 119991, Moscow, Leninskie gory, Russia. stroyano@thermo.chem.msu.ru.

PMID: 26919123
DOI: 10.1002/chem.201504556

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.

Keywords: C98; HPLC; chlorination; higher fullerenes; structure elucidation.

Publication types

Research Support, Non-U.S. Gov't