ELECTRON DEFICIENCY OF THE FULLERENES

被引：149

作者：

FOWLER, PW ^{[1
]}

CEULEMANS, A ^{[1
]}

机构：

[1] CATHOLIC UNIV LEUVEN,DEPT CHEM,B-3001 HEVERLEE,BELGIUM

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 02期

关键词：

D O I：

10.1021/j100002a010

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：

In spite of their extensive conjugation, fullerenes behave chemically and physically as electron-deficient alkenes rather than electron-rich aromatic systems. A qualitative molecular-orbital treatment and group-theoretical analysis accounts for this by showing that C-60 and all other closed-shell fullerenes C-n (n = 60 + 6k (k not equal 1)) of the infinite leapfrog class have six low-lying empty orbitals matching the translational and rotational symmetries. Six acceptor levels are also found for the other main class of closed shells, C-70 and the carbon cylinders C-n (n = 70 + 30k, n = 84 + 36k, all k).

引用

页码：508 / 510

页数：3

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