Tb3N@C84:: An improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule

被引：144

作者：

Beavers, Christine M.

Zuo, Tianming

Duchamp, James C.

Harich, Kim

Dorn, Harry C. ^{[1
]}

Olmstead, Marilyn M.

Balch, Alan L.

机构：

[1] Virginia Polytech Inst & State Univ, Dept Chem, Blacksburg, VA 24061 USA

[2] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA

[3] Emory & Henry Coll, Dept Chem, Emory, VA 24327 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 128卷 / 35期

关键词：

D O I：

10.1021/ja063636k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure of isomer 2 of Tb3N@C84 has been determined through single-crystal X-ray diffraction on Tb3N@C84·NiII(OEP)·2(C6H6). The carbon cage has a distinct egg shape due to the presence of a single pair of fused pentagons at one apex of the molecule. Thus, although 24 IPR structures are available to the C84 cage, Nature utilizes one of the 51568 isomeric structures that do not conform to the IPR for this unusual molecule. The Tb3N portion of isomer 2 of Tb3N@C84 is strictly planar. One Tb atom is nestled within the fold of the fused pentagons, while the other Tb atoms are disordered over four pairs of sites. Copyright © 2006 American Chemical Society.

引用

页码：11352 / 11353

页数：2

共 23 条

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