Polarizability of oxygen-containing fullerene derivatives C60On and C70O with epoxide/oxidoannulene moieties

被引：37

作者：

Sabirov, D. Sh. ^{[1
]}

Bulgakov, R. G. ^{[1
]}

机构：

[1] Inst Petrochem & Catalysis RAS, Phys Chem Problems Lab, Ufa 450075, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 506卷 / 1-3期

关键词：

OZONE ADDITION; C-60; C-70; REACTIVITY; PRODUCTS; TERMS;

D O I：

10.1016/j.cplett.2011.02.040

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

At the first time eigenvalues of polarizability tensors, average polarizabilities and their anisotropies of epoxyfullerenes C60On, C70O ( n = 1-30) and oxahomofullerenes C60O, C70O have been calculated. The dependences of C60On and C70O polarizabilities on the structure and n values have been discovered and general approaches for design of fullerene oxy-derivatives with high polarizability are discussed. The polarizability of C60On epoxides achieves maximal value 87.4 angstrom(3) at n = 15 and then diminishes to 85.3 angstrom 3 for n = 30. A theoretical model of this phenomenon has been proposed. (C) 2011 Elsevier B. V. All rights reserved.

引用

页码：52 / 56

页数：5

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