Many reactive fullerenes tend to form stable metallofullerenes

被引:42
作者
Aihara, J [1 ]
机构
[1] Shizuoka Univ, Fac Sci, Dept Chem, Oya, Shizuoka 4228529, Japan
关键词
D O I
10.1021/jp021390+
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
It was found that very many isolable or extractable metallofullerenes employ kinetically unstable isomers of C-78, C-80, and C-82 as carbon cages. These fullerene isomers are supposed to be stabilized by accepting one or more electrons from the encapsulated metal atoms. It seems that nature prefers to generate metallofullerenes with chemically reactive fullerene isomers. Some kinetically stable isomers Of C84 likewise form isolable metallofullerenes. All stability considerations were made using a bond resonance energy (BRE) model.
引用
收藏
页码:11371 / 11374
页数:4
相关论文
共 63 条
[1]   BOND RESONANCE ENERGY AND VERIFICATION OF THE ISOLATED PENTAGON RULE [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (14) :4130-4136
[2]   BOND RESONANCE ENERGIES AND KINETIC STABILITIES OF CHARGED FULLERENES [J].
AIHARA, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (34) :12739-12742
[3]   Theoretical prediction of isolable fullerene isomers [J].
Aihara, J .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1999, 72 (01) :7-11
[4]   Kinetic stability of metallofullerenes as predicted by the bond resonance energy model [J].
Aihara, J .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2001, 3 (08) :1427-1431
[5]   Kinetic stability of carbon cages in non-classical metallofullerenes [J].
Aihara, J .
CHEMICAL PHYSICS LETTERS, 2001, 343 (5-6) :465-469
[6]   Weighted HOMO-LUMO energy separation as an index of kinetic stability for fullerenes [J].
Aihara, J .
THEORETICAL CHEMISTRY ACCOUNTS, 1999, 102 (1-6) :134-138
[7]  
Aihara JI, 1996, J COMPUT CHEM, V17, P1387, DOI 10.1002/(SICI)1096-987X(199609)17:12<1387::AID-JCC1>3.3.CO
[8]  
2-N
[9]   Structural determination of the La@C82 isomer [J].
Akasaka, T ;
Wakahara, T ;
Nagase, S ;
Kobayashi, K ;
Waelchli, M ;
Yamamoto, K ;
Kondo, M ;
Shirakura, S ;
Maeda, Y ;
Kato, T ;
Kako, M ;
Nakadaira, Y ;
Gao, X ;
Van Caemelbecke, E ;
Kadish, KM .
JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (15) :2971-2974
[10]   La@C82 anion.: An unusually stable metallofullerene [J].
Akasaka, T ;
Wakahara, T ;
Nagase, S ;
Kobayashi, K ;
Waelchli, M ;
Yamamoto, K ;
Kondo, M ;
Shirakura, S ;
Okubo, S ;
Maeda, Y ;
Kato, T ;
Kako, M ;
Nakadaira, Y ;
Nagahata, R ;
Gao, X ;
Van Caemelbecke, E ;
Kadish, KM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (38) :9316-9317