Divalent metals can reside on bonds in fullerenes
文献类型：期刊论文
| 作者 | Gao XJ(高雪皎); Sun BY(孙宝云) ; Zhao YL(赵宇亮); Gao XF(高兴发); Gao, XJ; Sun, BY; Zhao, YL; Chen, BZ; Gao, XF
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| 刊名 | DALTON TRANSACTIONS
 |
| 出版日期 | 2015 |
| 卷号 | 44期号:20页码:9561-9568 |
| 通讯作者 | 高兴发 |
| 英文摘要 | DFT calculations consistently suggest that a lanthanide will sit on either the 6/6 bond inside C-60 having a divalent state or the hexagonal center having a trivalent state. Some lanthanides can stay only above the 6/6 bond inside C-60 to form stabilized structures, despite the greatly reduced metal-cage coordination numbers. The preference for C-C bonds by a divalent metal has been confirmed by revisiting the structures of Yb@C-2v(3)-C-80, Yb@C-s(6)-C-82 and Yb@C-2v(9)-C-82, for which the calculations suggest that the Yb atoms are indeed situated above the C-C bonds, close to the reported structures obtained by single crystal XRD experiments. The result will guide the characterization of structures and electronic structures of endohedral metallofullerenes (EMFs), especially C-60 mono-EMFs, in the future. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Inorganic & Nuclear |
| 收录类别 | SCI ; EI |
| WOS记录号 | WOS:000354999800028 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/228515]  |
| 专题 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Gao XJ,Sun BY,Zhao YL,et al. Divalent metals can reside on bonds in fullerenes[J]. DALTON TRANSACTIONS,2015,44(20):9561-9568. |
| APA | 高雪皎.,孙宝云.,赵宇亮.,高兴发.,Gao, XJ.,...&Gao, XF.(2015).Divalent metals can reside on bonds in fullerenes.DALTON TRANSACTIONS,44(20),9561-9568. |
| MLA | 高雪皎,et al."Divalent metals can reside on bonds in fullerenes".DALTON TRANSACTIONS 44.20(2015):9561-9568. |
入库方式： OAI收割
来源：高能物理研究所
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