Au32:: A 24-carat golden fullerene

被引:281
作者
Johansson, MP
Sundholm, D
Vaara, J
机构
[1] Univ Helsinki, Dept Chem, Lab Instruct Swedish, FIN-00014 Helsinki, Finland
[2] Univ Helsinki, Dept Chem, Chem Phys Lab, FIN-00014 Helsinki, Finland
关键词
D O I
10.1002/anie.200453986
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Golden balls! Relativistic quantum chemical theory suggests the existence of an interesting and surprising gold cluster. The all-gold fullerene Au 32 (see picture) is structurally very similar to the familiar buckminsterfullerene C60, as it is approximately the same size and hollow. Au32 is stabilized by relativistic effects and spherical aromaticity; the magnetic shielding at the center of the fullerene has the highest predicted value.
引用
收藏
页码:2678 / 2681
页数:4
相关论文
共 49 条
  • [1] Toward reliable density functional methods without adjustable parameters: The PBE0 model
    Adamo, C
    Barone, V
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (13) : 6158 - 6170
  • [2] ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE
    AHLRICHS, R
    BAR, M
    HASER, M
    HORN, H
    KOLMEL, C
    [J]. CHEMICAL PHYSICS LETTERS, 1989, 162 (03) : 165 - 169
  • [3] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS
    ANDRAE, D
    HAUSSERMANN, U
    DOLG, M
    STOLL, H
    PREUSS, H
    [J]. THEORETICA CHIMICA ACTA, 1990, 77 (02): : 123 - 141
  • [4] Properties of WAu12
    Autschbach, J
    Hess, BA
    Johansson, MP
    Neugebauer, J
    Patzschke, M
    Pyykkö, P
    Reiher, M
    Sundholm, D
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (01) : 11 - 22
  • [5] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [6] Visualization of solvation structures in liquid mixtures
    Bergman, DL
    Laaksonen, L
    Laaksonen, A
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1997, 15 (05) : 301 - +
  • [7] AB-INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17
    BERGNER, A
    DOLG, M
    KUCHLE, W
    STOLL, H
    PREUSS, H
    [J]. MOLECULAR PHYSICS, 1993, 80 (06) : 1431 - 1441
  • [8] Nanoshells: gifts in a gold wrapper
    Brongersma, ML
    [J]. NATURE MATERIALS, 2003, 2 (05) : 296 - 297
  • [9] Gold nanoparticles: Assembly, supramolecular chemistry, quantum-size-related properties, and applications toward biology, catalysis, and nanotechnology
    Daniel, MC
    Astruc, D
    [J]. CHEMICAL REVIEWS, 2004, 104 (01) : 293 - 346
  • [10] Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm
    Darby, S
    Mortimer-Jones, TV
    Johnston, RL
    Roberts, C
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04) : 1536 - 1550