Endohedral metallofullerenes. Are the isolated pentagon rule and fullerene structures always satisfied?

被引:148
作者
Kobayashi, K
Nagase, S [1 ]
Yoshida, M
Osawa, E
机构
[1] Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Tokyo 19203, Japan
[2] Toyohashi Univ Technol, Dept Knowledge Based Informat Engn, Toyohashi, Aichi 441, Japan
关键词
D O I
10.1021/ja9733088
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:12693 / 12694
页数:2
相关论文
共 42 条
  • [1] Achiba Y, 1996, NATO ADV SCI I E-APP, V316, P139
  • [2] C-13 and La-139 NMR studies of La-2@C-80: First evidence for circular motion of metal atoms in endohedral dimetallofullerenes
    Akasaka, T
    Nagase, S
    Kobayashi, K
    Walchli, M
    Yamamoto, K
    Funasaka, H
    Kako, M
    Hoshino, T
    Erata, T
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997, 36 (15): : 1643 - 1645
  • [3] MOLECULAR MECHANICS - THE MM3 FORCE-FIELD FOR HYDROCARBONS .1.
    ALLINGER, NL
    YUH, YH
    LII, JH
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (23) : 8551 - 8566
  • [4] MOLECULAR MECHANICS (MM3) CALCULATIONS ON CONJUGATED HYDROCARBONS
    ALLINGER, NL
    LI, FB
    YAN, LQ
    TAI, JC
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (07) : 868 - 895
  • [5] C-62: Theoretical evidence for a nonclassical fullerene with a heptagonal ring
    Ayuela, A
    Fowler, PW
    Mitchell, D
    Schmidt, R
    Seifert, G
    Zerbetto, F
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (39) : 15634 - 15636
  • [6] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) : 5648 - 5652
  • [7] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
    BINKLEY, JS
    POPLE, JA
    HEHRE, WJ
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
  • [9] FULLERENES WITH METALS INSIDE
    CHAI, Y
    GUO, T
    JIN, CM
    HAUFLER, RE
    CHIBANTE, LPF
    FURE, J
    WANG, LH
    ALFORD, JM
    SMALLEY, RE
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (20) : 7564 - 7568
  • [10] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL
    DEWAR, MJS
    ZOEBISCH, EG
    HEALY, EF
    STEWART, JJP
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3902 - 3909