Ho2O@C74: Ho2O Cluster Expands within a Small Non-IPR Fullerene Cage of C2(13333)-C74

被引：24

作者：

Liu, Along ^{[1
,2
,3
]}

Nie, Mingzhe ^{[4
]}

Hao, Yajuan ^{[1
,2
]}

Yang, Ying ^{[1
,2
]}

Wang, Taishan ^{[4
]}

Slanina, Zdenek ^{[5
]}

Cong, Hailin ^{[3
]}

Feng, Lai ^{[1
,2
]}

Wang, Chunru ^{[4
]}

Uhlik, Filip ^{[6
]}

机构：

[1] Soochow Univ, Soochow Inst Energy & Mat Innovat, Coll Energy, Suzhou 215006, Peoples R China

[2] Soochow Univ, Key Lab Adv Carbon Mat & Wearable Energy Technol, Suzhou 215006, Peoples R China

[3] Qingdao Univ, Coll Chem Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China

[4] Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Key Lab Mol Nanostruct & Nanotechnol, Beijing 100190, Peoples R China

[5] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA

[6] Charles Univ Prague, Dept Phys & Macromol Chem, Fac Sci, Prague 12843 2, Czech Republic

来源：

INORGANIC CHEMISTRY | 2019年 / 58卷 / 08期

基金：

北京市自然科学基金;

关键词：

MOLECULAR-ORBITAL METHODS; ENDOHEDRAL METALLOFULLERENES; CRYSTALLOGRAPHIC CHARACTERIZATION; CRYSTAL-STRUCTURES; M3N-AT-I-H-C-80; M; SULFIDE CLUSTER; METAL POSITIONS; OXIDE CLUSTER; CARBON CAGES; ISOMER;

D O I：

10.1021/acs.inorgchem.8b03145

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho2O@C-2(13333)-C-74 is prepared and isolated. The single crystal X-ray diffraction (XRD) study reveals that the Ho2O cluster, however, expands within the small non-IPR cage of C-2(13333)-C-74 with a Ho-O-Ho angle of >170 degrees indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C-2(13333)-C-74. In addition, the electrochemical and magnetic properties of Ho(2)OpC(2)(13333)-C-74 are studied to further investigate the effect of endohedral Ho2O cluster.

引用

页码：4774 / 4781

页数：8

共 63 条

[1] Sc3O@Ih(7)-C80: A Trimetallic Oxide Clusterfullerene Abundant in the Raw Soot [J].