Indices of the fullerenes reactivity

被引：27
|
作者：
Sabirov, Denis Sh [1 ]
Bulgakov, Ramil G. [1 ]
Khursan, Sergey L. [2 ]
机构：
[1] Russian Acad Sci, Inst Petrochem & Catalysis, Phys Chem Problems Lab, 141 Prospekt Oktyabrya, Ufa 450075, Russia
[2] Russian Acad Sci, Ufa Sci Ctr, Inst Organ Chem, Chem Kinet Lab, Ufa 450054, Russia
来源：
ARKIVOC | 2011年
关键词：
Fullerenes; reactivity; theoretical methods of investigation; indices of reactivity; heat of reaction; ADDITION-REACTIONS; CARBON NANOTUBES; LOCAL CURVATURE; C-70; FULLERENES; OZONE ADDITION; C-60; STABILITY; CHEMISTRY; CYCLOADDITION; AROMATICITY;
D O I：
10.3998/ark.5550190.0012.816
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
The review summarizes articles devoted to studies of fullerenes reactivity by quantum-chemical methods using of diverse reactivity indices, e.g. heats of reactions, activation energies, spin densities, pyramidality angles. Among them we can elect both approaches that have been used for the other organic compounds earlier (e.g., comparative bond orders analysis) and approaches being used for fullerenes and nanotubes only (curvature and polarizability indices). The prognostic potential of the mentioned approaches as well the trends of their application and further development are considered.
引用
收藏
页码：200 / 224
页数：25
相关论文
共 50 条
  • [31] REACTIVITY OF FULLERENES WITH CHEMICALLY GENERATED SINGLET-OXYGEN
    JUHA, L
    HAMPLOVA, V
    KODYMOVA, J
    SPALEK, O
    JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1994, (21) : 2437 - 2438
  • [32] Understanding the Reactivity of Fullerenes Through the Activation Strain Model
    Fernandez, Israel
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2018, 2018 (12) : 1394 - 1402
  • [33] Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes
    Osuna, Silvia
    Swart, Marcel
    Sola, Miguel
    JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (15): : 3491 - 3496
  • [34] THE TOPOLOGICAL STUDY OF IPR FULLERENES BY SZEGED AND REVISED SZEGED INDICES
    Mehranian, Z.
    Mottaghi, A.
    Ashrafi, A. R.
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2012, 11 (03): : 547 - 559
  • [35] Indices of bronchial reactivity and sensitivity response
    Cisneros, Carolina
    Garcia-Rio, Francisco
    Ancochea, Julio
    THORAX, 2011, 66 (03) : 266 - 266
  • [36] Chemical Reactivity Indices of the Caffeine Molecule
    de Almeida, A. L.
    Barbosa, L. P. G.
    Santos, R. L.
    Martins, J. B. L.
    REVISTA VIRTUAL DE QUIMICA, 2016, 8 (02) : 483 - 492
  • [37] Strategies for computing chemical reactivity indices
    Paul W. Ayers
    Theoretical Chemistry Accounts, 2001, 106 : 271 - 279
  • [38] REACTIVITY INDICES MONOHALOGENATED PYRIDINE DERIVATIVES
    HERNANDO, JM
    ARICETA, J
    ANALES DE QUIMICA-INTERNATIONAL EDITION, 1971, 67 (03): : 225 - &
  • [39] A COMMENT ON MONOMER REACTIVITY INDICES FOR COPOLYMERIZATION
    CAMMARATA, A
    YAU, SJ
    JOURNAL OF POLYMER SCIENCE PART A-1-POLYMER CHEMISTRY, 1970, 8 (05): : 1303 - +
  • [40] Improved reactivity indices for horticultural limes
    Huang, Jinshen
    Fisher, Paul R.
    Argo, William R.
    HORTSCIENCE, 2006, 41 (04) : 1019 - 1019
12345