Supramolecular interactions between fullerenes and porphyrins

被引：197
作者：
Wang, YB [1 ]
Lin, ZY [1 ]
机构：
[1] Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 20期
关键词：
D O I：
10.1021/ja028998g
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Perdew-Burke-Ernzerhof density functional theory calculations have been carried out to investigate the host-guest interactions for several fullerene-porphyrin supramolecular complexes. The nature of the interactions has been discussed. The fullerene-porphyrin interaction energies for the complexes studied are found to be in the range from -16 to -18 kcal/mol. Copyright © 2003 American Chemical Society.
引用
收藏
页码：6072 / 6073
页数：2
相关论文
共 33 条
  • [1] Adamo C., 2001, THEORETICAL BIOCH PR, P467, DOI [10.1016/S1380-7323(01)80013-3, DOI 10.1016/S1380-7323(01)80013-3]
  • [2] Kohn-Sham density functional theory: Predicting and understanding chemistry
    Bickelhaupt, FM
    Baerends, EJ
    [J]. REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 15, 2000, 15 : 1 - 86
  • [3] Selective supramolecular porphyrin/fullerene interactions
    Boyd, PDW
    Hodgson, MC
    Rickard, CEF
    Oliver, AG
    Chaker, L
    Brothers, PJ
    Bolskar, RD
    Tham, FS
    Reed, CA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (45) : 10487 - 10495
  • [4] Supramolecular fullerene chemistry
    Diederich, F
    Gómez-López, M
    [J]. CHEMICAL SOCIETY REVIEWS, 1999, 28 (05) : 263 - 277
  • [5] FLUKIGER P, 2000, MOLEKEL 4 2
  • [6] Towards an order-N DFT method
    Guerra, CF
    Snijders, JG
    te Velde, G
    Baerends, EJ
    [J]. THEORETICAL CHEMISTRY ACCOUNTS, 1998, 99 (06) : 391 - 403
  • [7] Guerra CF, 2002, ANGEW CHEM INT EDIT, V41, P2092
  • [8] Guerra CF, 1999, CHEM-EUR J, V5, P3581
  • [9] Charge-transfer in a π-stacked fullerene porphyrin dyad:: evidence for back electron transfer in the 'Marcus-inverted' region
    Guldi, DM
    Luo, CP
    Prato, M
    Dietel, E
    Hirsch, A
    [J]. CHEMICAL COMMUNICATIONS, 2000, (05) : 373 - 374
  • [10] Parallel (face-to-face) versus perpendicular (edge-to-face) alignment of electron donors and acceptors in fullerene porphyrin dyads: The importance of orientation in electron transfer
    Guldi, DM
    Luo, CP
    Prato, M
    Troisi, A
    Zerbetto, F
    Scheloske, M
    Dietel, E
    Bauer, W
    Hirsch, A
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (37) : 9166 - 9167
1234