title: Chloro Derivatives of Isomers of a Giant Fullerene C104: C104(234)Cl16/18, C104(812)Cl12/24, and C104(811)Cl28.
abstract: The chemistry of a giant fullerene, C104, has been extended by the synthesis and structural study of several chloro derivatives of three isolated pentagon rule (IPR) isomers of C104nos. 234, 812, and 811. In the structure of C104(234)Cl16/18, two molecules with 16 and 18 attached Cl atoms occupy the same crystallographic site with an occupancy ratio of 61/39. The structures of C104(812)Cl12and C104(812)Cl24demonstrate substructure relationships of their chlorination patterns with single and double Cl attachments to 12 cage pentagons. The structure of C104(811)Cl28is compared with the known C104(811)Cl24thus revealing dramatic changes in the chlorination pattern, which occur with relatively small increases in the degree of chlorination.
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, 230026, P. R. China.
authors.forename: Fei
authors.initials: F
authors.lastname: Jin
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, 230026, P. R. China.
authors.forename: Shangfeng
authors.identifier: http://orcid.org/0000-0002-6931-9613
authors.initials: S
authors.lastname: Yang
authors.affiliation: Institute of Chemistry, Humboldt University Berlin, Brook-Taylor.-Str.2, 12489, Berlin, Germany.
authors.forename: Maria A
authors.initials: MA
authors.lastname: Fritz
authors.affiliation: Institute of Chemistry, Humboldt University Berlin, Brook-Taylor.-Str.2, 12489, Berlin, Germany.
authors.forename: Erhard
authors.initials: E
authors.lastname: Kemnitz
authors.affiliation: Department of Chemistry, Moscow State University, 119991, Moscow, Leninskie gory, Russia.
authors.forename: Sergey I
authors.identifier: http://orcid.org/0000-0003-1663-0341
authors.initials: SI
authors.lastname: Troyanov
keywords: C104; chlorination; fullerenes; regioselectivity; structure elucidation