title: Does Gd@C82 have an anomalous endohedral structure? Synthesis and single crystal X-ray structure of the carbene adduct.
abstract: We report here the results on single crystal X-ray crystallographic analysis of the Gd@C82 carbene adduct (Gd@C82(Ad), Ad = adamantylidene). The Gd atom in Gd@C82(Ad) is located at an off-centered position near a hexagonal ring in the C2v-C82 cage, as found for M@C82 (M = Sc and La) and La@C82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.
authors.affiliation: Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba 305-8577, Japan. akasaka@tara.tsukuba.ac.jp
authors.forename: Takeshi
authors.initials: T
authors.lastname: Akasaka
authors.forename: Takayoshi
authors.initials: T
authors.lastname: Kono
authors.forename: Yuji
authors.initials: Y
authors.lastname: Takematsu
authors.forename: Hidefumi
authors.initials: H
authors.lastname: Nikawa
authors.forename: Tsukasa
authors.initials: T
authors.lastname: Nakahodo
authors.forename: Takatsugu
authors.initials: T
authors.lastname: Wakahara
authors.forename: Midori O
authors.initials: MO
authors.lastname: Ishitsuka
authors.forename: Takahiro
authors.initials: T
authors.lastname: Tsuchiya
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Maeda
authors.forename: Michael T H
authors.initials: MT
authors.lastname: Liu
authors.forename: Kenji
authors.initials: K
authors.lastname: Yoza
authors.forename: Tatsuhisa
authors.initials: T
authors.lastname: Kato
authors.forename: Kazunori
authors.initials: K
authors.lastname: Yamamoto
authors.forename: Naomi
authors.initials: N
authors.lastname: Mizorogi
authors.forename: Zdenek
authors.initials: Z
authors.lastname: Slanina
authors.forename: Shigeru
authors.initials: S
authors.lastname: Nagase
mesh_terms: D000218:Adamantane / Q000737:chemistry*; D018360:Crystallography, X-Ray; D037741:Fullerenes / Q000737:chemistry*; D005682:Gadolinium / Q000737:chemistry*; D008697:Methane / Q000031:analogs & derivatives / Q000737:chemistry; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*
chemical_list: D037741:Fullerenes; D009942:Organometallic Compounds; C030011:carbene; C020855:adamantylidene; D005682:Gadolinium; D008697:Methane; D000218:Adamantane