Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenes
文献类型：期刊论文
| 作者 | Zhao, Chong1,2; Wang, Taishan1; Li, Yongjian1,2; Meng, Haibing1,2; Nie, Mingzhe1,2; Tian, Jianlei1,3; Wang, Chunru1 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2017-10-21 |
| 卷号 | 19期号:39页码:26846-26850 |
| 英文摘要 | The electron spin properties of endohedral metallofullerene molecules have broad potential applications in quantum information and magnetic induction systems due to the high stability and sensitivity. Herein, we synthesized a series of Y3N@C-2n (n = 40-44) molecules and studied the hyperfine structures of their anion radicals via ESR measurements and DFT calculations. N-Hyperfine couplings were clearly observed in the ESR spectra of charged Y3N@C-80 and Y3N@C-86 anion radicals, which are not found in the other metallofullerenes. The ESR results revealed size-dependent spin distributions and hyperfine structures, which are sensitive to subtle changes in the carbon cage and the configuration of the yttrium nitride cluster. BOMD cluster trajectories simulations indicated that the Y3N cluster almost rotates freely in neutral Y3N@C-80 but there is a certain degree of limitation in the Y3N@C-80 anion. |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/41260]  |
| 专题 | 化学研究所_分子纳米结构与纳米技术实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Mol Nanostruct & Nanotechnol, Zhongguancun North First St 2, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Southwest Univ, Sch Chem & Chem Engn, Chongqing 400715, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Chong,Wang, Taishan,Li, Yongjian,et al. Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenes[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(39):26846-26850. |
| APA | Zhao, Chong.,Wang, Taishan.,Li, Yongjian.,Meng, Haibing.,Nie, Mingzhe.,...&Wang, Chunru.(2017).Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenes.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(39),26846-26850. |
| MLA | Zhao, Chong,et al."Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenes".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.39(2017):26846-26850. |
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来源：化学研究所
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