Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species

被引:19
|
作者
Xu, Wei [3 ]
Hao, Yajuan [1 ,2 ]
Uhlik, Filip [5 ]
Shi, Zujin [3 ]
Slanina, Zdenek [4 ]
Feng, Lai [1 ,2 ]
机构
[1] Soochow Univ, Jiangsu Key Lab Thin Films, Suzhou 215006, Peoples R China
[2] Soochow Univ, Sch Energy, Suzhou 215006, Peoples R China
[3] Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China
[4] Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan
[5] Charles Univ Prague, Fac Sci, Dept Phys & Macromol Chem, Prague 12843 2, Czech Republic
基金
中国国家自然科学基金;
关键词
SITE-HOPPING MOTION; SPECTROSCOPIC CHARACTERIZATION; CRYSTALLOGRAPHIC CHARACTERIZATION; ENDOHEDRAL FULLERENES; METALLOFULLERENE; THERMOCHEMISTRY; ELUCIDATION; ATOM;
D O I
10.1039/c3nr03447j
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A metallofullerene Sm@D-3h-C-74 that contains a divalent rare-earth metal has been studied structurally and electrochemically. The crystallographic analysis revealed that the endohedral Sm atom is more or less motional rather than being localized at a site where the pyracylene motif is nearby. This suggests a weaker metal-pyracylene interaction in Sm@D-3h-C-74 relative to that in MII@C-74 (M Group II metal), thus confirming the importance of the metal variety. The electrochemical studies showed a major difference between the redox properties of Sm@D-3h-C-74 and other Sm-fullerenes and indicated a small band gap for the title compound.
引用
收藏
页码:10409 / 10413
页数:5
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