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
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
收藏
页码:508 / 510
页数:3
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