Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical
文献类型：期刊论文
| 作者 | Zhang, Zhuxia1,2; Wang, Taishan2; Xu, Bingshe1; Wang, Chunru2 |
| 刊名 | DALTON TRANSACTIONS
 |
| 出版日期 | 2014-09-14 |
| 卷号 | 43期号:34页码:12871-12875 |
| ISSN号 | 1477-9226 |
| DOI | 10.1039/c4dt01074d |
| 英文摘要 | A metaltofullerene radical Y-2@C81N was synthesized and characterized by ESR spectroscopy and ab initio calculations. It was revealed that the molecule adopts an unique azafullerene C81N cage derived from C-82-C-2v(9), and two yttrium ions are entrapped to form the endohedral structure. The unpaired electron of Y-2@C81N radical was calculated to mainly localize on the Y-2 dimer, leading to large hyperfine coupling constants of 75.7 and 69.8 G for the two yttrium nuclei. |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000341064100009 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/53077]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, Zhuxia |
| 作者单位 | 1.Taiyuan Univ Technol, Res Ctr Adv Mat Sci & Technol, Minist Educ, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Peoples R China 2.Chinese Acad Sci, Inst Chem, Lab Mol Nanostruct & Nanotechnol, Being Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Zhuxia,Wang, Taishan,Xu, Bingshe,et al. Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical[J]. DALTON TRANSACTIONS,2014,43(34):12871-12875. |
| APA | Zhang, Zhuxia,Wang, Taishan,Xu, Bingshe,&Wang, Chunru.(2014).Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical.DALTON TRANSACTIONS,43(34),12871-12875. |
| MLA | Zhang, Zhuxia,et al."Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical".DALTON TRANSACTIONS 43.34(2014):12871-12875. |
入库方式： OAI收割
来源：化学研究所
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