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
相关论文
共 29 条
[1]   La@C82 anion.: An unusually stable metallofullerene [J].
Akasaka, T ;
Wakahara, T ;
Nagase, S ;
Kobayashi, K ;
Waelchli, M ;
Yamamoto, K ;
Kondo, M ;
Shirakura, S ;
Okubo, S ;
Maeda, Y ;
Kato, T ;
Kako, M ;
Nakadaira, Y ;
Nagahata, R ;
Gao, X ;
Van Caemelbecke, E ;
Kadish, KM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (38) :9316-9317
[2]  
Akasaka T., 2002, Endofullerenes: A New Family of Carbon Clusters
[3]   Adamantylidene revisited: flash photolysis of adamantanediazirine [J].
Bonneau, R ;
Hellrung, B ;
Liu, MTH ;
Wirz, J .
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 1998, 116 (01) :9-19
[4]   FULLERENES WITH METALS INSIDE [J].
CHAI, Y ;
GUO, T ;
JIN, CM ;
HAUFLER, RE ;
CHIBANTE, LPF ;
FURE, J ;
WANG, LH ;
ALFORD, JM ;
SMALLEY, RE .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (20) :7564-7568
[5]   Structural characterization of Y@C82 [J].
Feng, L ;
Wakahara, T ;
Tsuchiya, T ;
Maeda, Y ;
Lian, YF ;
Akasaka, T ;
Mizorogi, N ;
Kobayashi, K ;
Nagase, S ;
Kadish, KM .
CHEMICAL PHYSICS LETTERS, 2005, 405 (4-6) :274-277
[6]  
Fowler P.W., 2006, ATLAS FULLERENES
[7]   Gd-LIII EXAFS study of structural and dynamic properties of Gd@C82 between 10 and 300 K [J].
Giefers, H ;
Nessel, F ;
Györy, SI ;
Strecker, M ;
Wortmann, G ;
Grushko, YS ;
Alekseev, EG ;
Kozlov, VS .
CARBON, 1999, 37 (05) :721-725
[8]   CHEMISTRY OF THE FULLERENES - THE MANIFESTATION OF STRAIN IN A CLASS OF CONTINUOUS AROMATIC-MOLECULES [J].
HADDON, RC .
SCIENCE, 1993, 261 (5128) :1545-1550
[9]   Structural determination of metallofuIlerene SC3C82 revisited:: A surprising finding [J].
Iiduka, Y ;
Wakahara, T ;
Nakahodo, T ;
Tsuchiya, T ;
Sakuraba, A ;
Maeda, Y ;
Akasaka, T ;
Yoza, K ;
Horn, E ;
Kato, T ;
Liu, MTH ;
Mizorogi, N ;
Kobayashi, K ;
Nagase, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (36) :12500-12501
[10]   Experimental and theoretical studies of the scandium carbide endohedral metallofullerene Sc2C2@C82 and its carbene derivative [J].
Iiduka, Yuko ;
Wakahara, Takatsugu ;
Nakajima, Koji ;
Nakahodo, Tsukasa ;
Tsuchiya, Takahiro ;
Maeda, Yutaka ;
Akasaka, Takeshi ;
Yoza, Kenji ;
Liu, Michael T. H. ;
Mizorogi, Naomi ;
Nagase, Shigeru .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (29) :5562-5564