Vapor-Phase Growth and Structural Characterization of Single Crystals of Magnesium Doped Two-Dimensional Fullerene Polymer Mg2C60
Vapor-Phase Growth and Structural Characterization of Single Crystals of Magnesium Doped Two-Dimensional Fullerene Polymer Mg2C60
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DOI：
10.1021/acs.cgd.8b00186
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发表时间：
2018-06
影响因子：
3.8
通讯作者：
Masashi Tanaka;S. Yamanaka
中科院分区：
文献类型：
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作者：
Masashi Tanaka;S. Yamanaka
通过Mg和C60的二元气相混合物，在高温下在密封玻璃管中直接生长镁掺杂的富勒烯聚合物Mg 2C 60的单晶。这是第一个单晶，在金属掺杂的二维富勒烯聚合物，这使得精确的X射线结构细化。Mg_2C_60晶体属单斜晶系，空间群为I_2/m，晶胞参数为：a = 9.324（2）A，B = 9.041（2）A，c = 14.817（3）A，β = 91.699（10）°。Mg原子位于每个四面体富勒烯球表面，其中最短的Mg-C距离为2.341（2）A，表明Mg阳离子与碳p轨道处于货车范德华接触。二维富勒烯聚合物网络的精确结构的特征在于通过与先前报道的粉末样品的结构数据进行比较。
Single crystals of magnesium doped fullerene polymer Mg2C60 can be directly grown via a binary vapor-phase mixture of Mg and C60, in sealed glass tubes at elevated temperatures. This is the first single crystal, in metal-doped two-dimensional fullerene polymers, which enables precise X-ray structural refinement. The Mg2C60 crystallizes in a monoclinic space group, I2/m, with lattice parameters of a = 9.324(2) A, b = 9.041(2) A, c = 14.817(3) A, and β = 91.699(10)°. A Mg atom is located at each tetrahedral fullerene ball interstice, where the shortest Mg–C distance is 2.341(2) A, suggesting that the Mg cation is in van der Waals contact with carbon p orbitals. The precise structure of the two-dimensional fullerene polymer network is characterized by comparison with structural data reported previously on powder samples.