Does Gd@C82 have an anomalous endohedral structure?: Synthesis and single crystal X-ray structure of the carbene adduct

被引:74
作者
Akasaka, Takeshi [1 ]
Kono, Takayoshi [1 ]
Takematsu, Yuji [1 ]
Nikawa, Hidefumi [1 ]
Nakahodo, Tsukasa [1 ]
Wakahara, Takatsugu [1 ]
Ishitsuka, Midori O. [1 ]
Tsuchiya, Takahiro [1 ]
Maeda, Yutaka [2 ]
Liu, Michael T. H. [3 ]
Yoza, Kenji [5 ]
Kato, Tatsuhisa [4 ]
Yamamoto, Kazunori [6 ]
Mizorogi, Naomi [7 ]
Slanina, Zdenek [1 ]
Nagase, Shigeru [7 ]
机构
[1] Univ Tsukuba, Ctr Tsukuba Adv Res Alliance, Tsukuba, Ibaraki 3058577, Japan
[2] Tokyo Gakugei Univ, Dept Chem, Koganei, Tokyo 1848501, Japan
[3] Univ Prince Edward Isl, Dept Chem, Charlottetown, PE C1A 4P3, Canada
[4] Josai Univ, Dept Chem, Sakado, Saitama 1718501, Japan
[5] Bruker AXS KK, Yokohama, Kanagawa 2210022, Japan
[6] Japan Atom Energy Agcy, Tokai, Ibaraki 3191100, Japan
[7] Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan
关键词
D O I
10.1021/ja802156n
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We report here the results on single crystal X-ray crystallographic analysis of the Gd@C-82 carbene adduct (Gd@C-82(Ad), Ad = adamantylidene). The Gd atom in Gd@C-82(Ad) is located at an off-centered position near a hexagonal ring in the C-2V-C-82 cage, as found for M@C-82 (M = Sc and La) and La@C-82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.
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页码:12840 / +
页数:3
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