A Bent Tb2C2 Cluster Encaged in a CS(6)-C82 Cage: Synthesis, Isolation and X- ray Crystallographic Study

被引：19
|
作者：
Liu, Fupin [1 ,2 ]
Wei, Tao [1 ,2 ]
Wang, Song [1 ,2 ]
Guan, Jian [1 ,2 ]
Lu, Xing [3 ]
Yang, Shangfeng [1 ,2 ]
机构：
[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, CAS Key Lab Mat Energy Convers, Hefei 230026, Peoples R China
[2] Univ Sci & Technol China, Dept Mat Sci & Engn, Hefei 230026, Peoples R China
[3] Huazhong Univ Sci & Technol, State Key Lab Mat Proc & Die & Mould Technol, Coll Mat Sci & Engn, Wuhan 430074, Peoples R China
来源：
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES | 2014年 / 22卷 / 1-3期
基金：
中国国家自然科学基金;
关键词：
Fullerenes; endohedral fullerenes; metal carbide; X-ray crystallography; terbium; CARBIDE ENDOHEDRAL METALLOFULLERENE; STRUCTURAL-CHARACTERIZATION; FULLERENE CAGE; ISOMERS; SC2C2-AT-C-82;
D O I：
10.1080/1536383X.2013.801839
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Terbium (Tb)-based dimetallofullerene, Tb2C84, has been synthesized and isolated by multistep HPLC. According to the UV-vis-NIR spectroscopic characterization and comparison with the reported analogous M2C84 (M = Sc, Y) metallofullerenes, the molecular structure of Tb2C84 is proposed to be Tb2C2@Cs (6)-C82 featuring a metal carbide clusterfullerene (CCF) structure, which is unambiguously confirmed by X-ray crystallographic study. A detailed analysis of the crystal structure of a cocrystal of Tb2C2@Cs (6)-C82NiII(OEP)2C6H6 (NiII(OEP) = nickel (II) octaethylporphyrin) reveals that a bent Tb2C2 carbide cluster is encaged rigidly inside a Cs (6)-C82 cage. The C-C bond within the encaged Tb2C2 carbide cluster behaves as a typical C-C triple bond. The asymmetric unit in Tb2C2@Cs (6)-C82NiII(OEP)2C6H6 contains two fullerene sites, for which the encaged Tb2C2 carbide cluster however locates at nearly the same position with one Tb atom being beneath a hexagon and another Tb atom pointing to the conjunction of two adjacent hexagons.
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页码：215 / 226
页数：12
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