Electron Spin Manipulation via Encaged Cluster: Differing Anion Radicals of Y2@C82-Cs, Y2C2@C82-Cs, and Sc2C2@C82-Cs.
Electron Spin Manipulation via Encaged Cluster: Differing Anion Radicals of Y2@C82-Cs, Y2C2@C82-Cs, and Sc2C2@C82-Cs.
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DOI：
10.1021/jz3020666
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发表时间：
2013-01
期刊：
影响因子：
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通讯作者：
Yihan Ma;Taishan Wang;Jingyi Wu;Yongqiang Feng;Hui Li;Li Jiang;Chun-ying Shu;Chunru Wang
中科院分区：
文献类型：
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作者：
Yihan Ma;Taishan Wang;Jingyi Wu;Yongqiang Feng;Hui Li;Li Jiang;Chun-ying Shu;Chunru Wang
具有可控电子自旋的内嵌金属富勒烯物种及其在量子信息处理中的潜在应用引起了越来越多的关注。在本文中，我们通过对金属富勒烯Y2@C82-Cs、Y2C2@C82-Cs和Sc2C2@C82-Cs的阴离子自由基的比较研究，报告了通过笼状团簇进行电子自旋操纵。尽管这三种自由基物种具有相同的母体富勒烯笼，但我们发现它们的不成对自旋特性以及金属自旋耦合会受到内嵌簇的极大影响。此外，基于理论计算，发现被束缚的团簇可以影响原始内嵌金属富勒烯的电子布居，并最终操纵其相应阴离子自由基的自旋分布。我们的研究结果涉及信息处理中由于这些金属富勒烯自由基的可变顺磁性而产生的自旋相干性。
Endohedral metallofullerene species with controllable electron spin have attracted increasing attention along with their potential application in quantum information processing. In this paper, we report the electron spin manipulation via encage cluster through comparative studies on the anion radicals of metallofullerene Y2@C82-Cs, Y2C2@C82-Cs, and Sc2C2@C82-Cs. Although these three radical species have the same parent fullerene cage, we found that the unpaired spin characteristics as well as metal-spin couplings of them can be greatly affected by endohedral clusters. Furthermore, based on theoretical calculations, it was revealed that the encaged clusters can affect the electronic population of pristine endohedral metallofullerenes and eventually manipulate the spin distribution of their corresponding anion radicals. Our findings are referential to the spin coherence in information processing due to the variable paramagnetism of these metallofullerene radicals.