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
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