Structural determination of metallofuIlerene SC3C82 revisited:: A surprising finding

被引:194
作者
Iiduka, Y
Wakahara, T
Nakahodo, T
Tsuchiya, T
Sakuraba, A
Maeda, Y
Akasaka, T [1 ]
Yoza, K
Horn, E
Kato, T
Liu, MTH
Mizorogi, N
Kobayashi, K
Nagase, S
机构
[1] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan
[2] Univ Tsukuba, Ctr Tsukuba Adv Res Alliance, Tsukuba, Ibaraki 3058577, Japan
[3] Tokyo Gakugei Univ, Dept Chem, Koganei, Tokyo 1848501, Japan
[4] Bruker AXS KK, Yokohama, Kanagawa 2210022, Japan
[5] Rikkyo Univ, Dept Chem, Tokyo 1718501, Japan
[6] Josai Univ, Dept Chem, Sakado, Saitama 3500295, Japan
[7] Univ Prince Edward Isl, Dept Chem, Charlottetown, PE C1A 4P3, Canada
[8] Inst Mol Sci, Dept Theoret Mol Sci, Okazaki, Aichi 4448585, Japan
关键词
D O I
10.1021/ja054209u
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We report here the structural determination of the Sc3C82 molecule by 13C NMR spectroscopy and X-ray single-crystal structure analysis. From the present study, it is obvious that the structure of Sc3C82is not Sc3@C82 but Sc3C2@C80. Copyright © 2005 American Chemical Society.
引用
收藏
页码:12500 / 12501
页数:2
相关论文
共 35 条
[1]   Structural determination of the La@C82 isomer [J].
Akasaka, T ;
Wakahara, T ;
Nagase, S ;
Kobayashi, K ;
Waelchli, M ;
Yamamoto, K ;
Kondo, M ;
Shirakura, S ;
Maeda, Y ;
Kato, T ;
Kako, M ;
Nakadaira, Y ;
Gao, X ;
Van Caemelbecke, E ;
Kadish, KM .
JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (15) :2971-2974
[2]   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
[3]  
Akasaka T., 2002, Endofullerenes: A New Family of Carbon Clusters
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[6]   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
[7]  
FOWLER PW, 1995, ATLAS FULLERENES, P255
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[9]  
HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448800, 10.1063/1.448799]
[10]   LANTHANUM COMPLEXES OF SPHEROIDAL CARBON SHELLS [J].
HEATH, JR ;
OBRIEN, SC ;
ZHANG, Q ;
LIU, Y ;
CURL, RF ;
KROTO, HW ;
TITTEL, FK ;
SMALLEY, RE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) :7779-7780