Understanding the Reactivity of Fullerenes Through the Activation Strain Model

被引:27
|
作者
Fernandez, Israel [1 ,2 ]
机构
[1] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Organ 1, Cuidad Univ, E-28040 Madrid, Spain
[2] Univ Complutense Madrid, Fac Ciencias Quim, Ctr Innovac Quim Avanzada ORFEO CINQA, Cuidad Univ, E-28040 Madrid, Spain
关键词
Fullerenes; Reactivity; Diels-Alder; Cycloaddition; Strained molecules; Density functional calculations; DIELS-ALDER REACTION; ENDOHEDRAL METALLOFULLERENES; STRUCTURAL-CHARACTERIZATION; ELECTRON-TRANSFER; DEEPER INSIGHT; C-60; DISTORTION/INTERACTION; AZAFULLERENE; AROMATICITY; REGIOSELECTIVITY;
D O I
10.1002/ejoc.201701626
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The Activation Strain Model of reactivity nowadays constitutes a powerful tool to aid quantitative understanding of chemical reactions, and also their design. This approach, combined with the Energy Decomposition Analysis method, has been really helpful for our current understanding of different fundamental transformations in chemistry. This Microreview illustrates the usefulness of this methodology in providing more insight into the chemistry of fullerenes. To this end, representative recent applications, ranging from the regioselectivity in Diels-Alder cycloaddition to the reactivity of endohedral fullerenes, are presented.
引用
收藏
页码:1394 / 1402
页数:9
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