Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60
文献类型：期刊论文
| 作者 | Zhu Chuanbao; Yan Jimin |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 1996 |
| 卷号 | 12期号:9页码:796-803 |
| 关键词 | C-60 Endohedral Complex X@c-60 Interaction Non-bonding |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/PKU.WHXB19960905 |
| 英文摘要 | The energy variation during the formation of the titled endohedral complexes X@C-60 (X=atoms of the Group IA or the Group VIIA), and the bonding nature and the variation character or the at in C-60 cage all have been investigated from the viewpoint of intramolecular interaction. The results demonstrated that (1) the force field in C-60 cage is of nearly spherical symmetry; (2) the total interaction and its components vary regularly with the atomic numbers or radii, of X; (3) all concerned endohedral atoms except for I, contribute considerably to the stabilities of X@C-60 by way of the interaction between C-60 cage and them; (4) each X has a special energy minimum location in the cage, at or off the cage center, and this location is due to the resultant effect from the various interactions, but not to the formation of chemical bond between X and C-60 cage; (5) in settee, the interaction in C-60 cage is of typical non-bonding characteristics, with similar to 90% electrostatic interaction and similar to 10% repulsive and dispersive interactions. |
| 语种 | 英语 |
| WOS记录号 | WOS:000207600200005 |
| 出版者 | PEKING UNIV PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74071]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhu Chuanbao |
| 作者单位 | Acad Sinica, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu Chuanbao,Yan Jimin. Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60[J]. ACTA PHYSICO-CHIMICA SINICA,1996,12(9):796-803. |
| APA | Zhu Chuanbao,&Yan Jimin.(1996).Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60.ACTA PHYSICO-CHIMICA SINICA,12(9),796-803. |
| MLA | Zhu Chuanbao,et al."Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60".ACTA PHYSICO-CHIMICA SINICA 12.9(1996):796-803. |
入库方式： OAI收割
来源：化学研究所
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