title: Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C82(6)(CF3)16/18.
abstract: Recently discovered monometallic cyanide cluster fullerenes are a novel family of endohedral molecules, whose chemical reactivity has not yet been probed. High-temperature trifluoromethylation of the yttrium cyanide cluster fullerene YCN@C82(6), followed by high-performance liquid chromatography separation and an X-ray diffraction study of the two crystallized fractions, resulted in the structural characterization of YCN@C82(6)(CF3)16/18. In both molecules, exohedrally attached CF3groups delimit the spherical π system into localized double bonds, benzenoid rings, larger aromatic assemblies, and a conjugated fragment with the only intact pentagon that is involved in coordination to the interior Y atom. We also present theoretical results on charge distributions in the compounds reported.
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, and Department of Materials Science and Engineering, University of Science and Technology of China , Hefei 230026, 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, and Department of Materials Science and Engineering, University of Science and Technology of China , Hefei 230026, China.
authors.forename: Song
authors.initials: S
authors.lastname: Wang
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, and Department of Materials Science and Engineering, University of Science and Technology of China , Hefei 230026, China.
authors.forename: Shangfeng
authors.identifier: http://orcid.org/0000-0002-6931-9613
authors.initials: S
authors.lastname: Yang
authors.affiliation: Chemistry Department, Moscow State University , 119991 Leninskie Gory, Moscow, Russia.
authors.forename: Nadezhda B
authors.initials: NB
authors.lastname: Tamm
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, and Department of Materials Science and Engineering, University of Science and Technology of China , Hefei 230026, China.
authors.forename: Ilya N
authors.initials: IN
authors.lastname: Ioffe
authors.affiliation: Chemistry Department, Moscow State University , 119991 Leninskie Gory, Moscow, Russia.
authors.forename: Sergey I
authors.identifier: http://orcid.org/0000-0003-1663-0341
authors.initials: SI
authors.lastname: Troyanov