Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal–Organic Framework
Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal–Organic Framework
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DOI：
10.1021/acs.jpcc.7b11353
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发表时间：
2018-02
影响因子：
3.7
通讯作者：
Chong Zhao;Haibing Meng;Mingzhe Nie;Li Jiang;Chunru Wang;Taishan Wang
中科院分区：
文献类型：
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作者：
Chong Zhao;Haibing Meng;Mingzhe Nie;Li Jiang;Chunru Wang;Taishan Wang
顺磁性金属富勒烯具有球形的分子结构和稳定的未成对自旋，在量子信息处理等方面具有潜在的应用前景。对于内嵌的氮杂富勒烯Y2@C79N，笼上的N原子赋予分子未成对自旋，并通过主客体相互作用诱导分子在MOF孔内取向。对Y2@C79N的顺磁M0 F-177络合物采用角度依赖的EPR光谱来检测各向异性顺磁性质。这些结果在实验上证实了在某些条件下Y2@C79N在MOF-177中的分子取向趋势，这也诱导了Y2@C79N的几种构象异构体的存在。提出Y2@C79N嵌入M0 F-177中的额外EPR分裂源自部分无序分子以及Y2@C79N在将其植入M0 F-177孔中时的N-偶联。Y2@C79N富勒烯笼上的N缺陷有望作为锚构筑三维结构。
Paramagnetic metallofullerenes have a spherical molecular structure and stable unpaired spin protected by a fullerene cage and have potential applications in quantum information processing, etc. For endohedral azafullerene Y2@C79N, the N atom on the cage endows the molecule with unpaired spin and is proposed to induce the molecule orientation within the MOF pore via host–guest interaction. Angular-dependent EPR spectroscopy was employed on the Y2@C79N⊂MOF-177 complex to detect the anisotropic paramagnetic properties. These results experimentally confirmed the trend of molecule orientation of Y2@C79N within MOF-177 under certain conditions, which also induces the presence of several conformers of Y2@C79N. The additional EPR splittings in Y2@C79N⊂MOF-177 are proposed to originate from partially disordered molecules as well as the N-coupling of Y2@C79N upon implanting it into the MOF-177 pore. The N-defect on the fullerene cage of Y2@C79N is expected to be utilized as an anchor to build a three-dimensional s...