title: Detection of a family of gadolinium-containing endohedral fullerenes and the isolation and crystallographic characterization of one member as a metal-carbide encapsulated inside a large fullerene cage.
abstract: A series of di-gadolinium endohedrals that extends from Gd(2)C(90) to Gd(2)C(124) has been detected by mass spectrometry of the o-dichlorobenzene extract of the carbon soot produced by direct current arcing of graphite rods filled with a mixture of Gd(2)O(3) and graphite powder. Chromatographic separation has led to the isolation of pure samples of two isomers of Gd(2)C(94) and the complete series from Gd(2)C(96) to Gd(2)C(106). Endohedral fullerenes of the type M(2)C(2n) can exist as the conventional endohedral, M(2)@C(2n), or as the carbide-containing endohedral, M(2)C(2)@C(2n-2). Crystallographic characterization of the more rapidly eluting isomer of Gd(2)C(94) reveals that it possesses the carbide structure, Gd(2)C(2)@D(3)(85)-C(92). Computational studies suggest that the more slowly eluting isomer of Gd(2)C(94) may be a conventional endohedral, Gd(2)@C(2)(121)-C(94).
authors.affiliation: Zhejiang-California International NanoSystems Institute, Department of Chemistry, Zhejiang University, Hangzhou 310027, China.
authors.forename: Hua
authors.initials: H
authors.lastname: Yang
authors.forename: Chunxin
authors.initials: C
authors.lastname: Lu
authors.forename: Ziyang
authors.initials: Z
authors.lastname: Liu
authors.forename: Hongxiao
authors.initials: H
authors.lastname: Jin
authors.forename: Yuliang
authors.initials: Y
authors.lastname: Che
authors.forename: Marilyn M
authors.initials: MM
authors.lastname: Olmstead
authors.forename: Alan L
authors.initials: AL
authors.lastname: Balch
mesh_terms: D002244:Carbon / Q000737:chemistry*; D002722:Chlorobenzenes / Q000737:chemistry; D002845:Chromatography / Q000379:methods; D002851:Chromatography, High Pressure Liquid; D018360:Crystallography, X-Ray / Q000379:methods; D037741:Fullerenes / Q000737:chemistry*; D005682:Gadolinium / Q000737:chemistry*; D006108:Graphite / Q000737:chemistry; D007477:Ions; D008279:Magnetic Resonance Imaging; D013058:Mass Spectrometry / Q000379:methods; D008670:Metals / Q000737:chemistry*; D012984:Software; D013053:Spectrophotometry / Q000379:methods; D014961:X-Ray Diffraction
chemical_list: D002722:Chlorobenzenes; D037741:Fullerenes; D007477:Ions; D008670:Metals; C004726:2-dichlorobenzene; D002244:Carbon; D006108:Graphite; D005682:Gadolinium