Size effect of endohedral cluster on fullerene cage: Preparation and structural studies of Y3N@C78-C2

被引：25

作者：

Ma, Yihan ^{[1
,2
]}

Wang, Taishan ^{[1
]}

Wu, Jingyi ^{[1
]}

Feng, Yongqiang ^{[1
]}

Xu, Wei ^{[1
]}

Jiang, Li ^{[1
]}

Zheng, Junpeng ^{[1
]}

Shu, Chunying ^{[1
]}

Wang, Chunru ^{[1
]}

机构：

[1] Inst Chem, Lab Mol Nanostruct & Nanotechnol, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China

来源：

NANOSCALE | 2011年 / 3卷 / 12期

基金：

中国博士后科学基金;

关键词：

ISOLATED PENTAGON RULE; NON-IPR FULLERENE; NITRIDE CLUSTER; CARBON CAGE; METALLOFULLERENE FAMILY; MATERIALS SCIENCE; CLUSTERFULLERENES; MOLECULES;

D O I：

10.1039/c1nr11327e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new metallofullerene Y3N@C-78-C-2 was synthesized and characterized. It was shown that Y3N@C-78 has an unconventional C-78-C-2 cage with two pairs of fused pentagons closely bonded with two yttrium atoms. DFT calculations showed that the size of the ionic radii of the metals forming the caged cluster plays an important role in the non-isolated-pentagon-rule-feature of the C-78 cage.

引用

页码：4955 / 4957

页数：3

共 29 条

[1] Bingel-Hirsch Reactions on Non-IPR Gd3N@C2n (2n=82 and 84) [J].

Alegret, Nuria ;

Chaur, Manuel N. ;

Santos, Eva ;

Rodriguez-Fortea, Antonio ;

Echegoyen, Luis ;

Poblet, Josep M. .

JOURNAL OF ORGANIC CHEMISTRY, 2010, 75 (23) :8299-8302

[2] Tb3N@C84:: An improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule [J].

Beavers, Christine M. ;

Zuo, Tianming ;

Duchamp, James C. ;

Harich, Kim ;

Dorn, Harry C. ;

Olmstead, Marilyn M. ;

Balch, Alan L. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (35) :11352-11353

[3] Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule [J].

Beavers, Christine M. ;

Chaur, Manuel N. ;

Olmstead, Marilyn M. ;

Echegoyen, Luis ;

Balch, Alan L. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (32) :11519-11524

[4] Synthesis and Characterization of a Non-IPR Fullerene Derivative: Sc3N@C68[C(COOC2H5)2] [J].

Cai, Ting ;

Xu, Liaosa ;

Shu, Chunying ;

Reid, Jonathan E. ;

Gibson, Harry W. ;

Dorn, Harry C. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (49) :19203-19208

[5] Exohedral reactivity of trimetallic nitride template (TNT) endohedral metallofullerenes [J].

Campanera, JM ;

Bo, C ;

Poblet, JM .

JOURNAL OF ORGANIC CHEMISTRY, 2006, 71 (01) :46-54

[6] Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes [J].

Chaur, Manuel N. ;

Melin, Frederic ;

Ortiz, Angy L. ;

Echegoyen, Luis .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2009, 48 (41) :7514-7538

[7] AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES [J].

DELLEY, B .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01) :508-517

[8] Endohedral clusterfullerenes - playing with cluster and cage sizes [J].

Dunsch, Lothar ;

Yang, Shangfeng .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (24) :3067-3081

[9] Metal nitride cluster fullerenes: Their current state and future prospects [J].

Dunsch, Lothar ;

Yang, Shangfeng .

Small, 2007, 3 (08) :1298-1320

[10] 89Y and 13C NMR Cluster and Carbon Cage Studies of an Yttrium Metallofullerene Family, Y3N@C2n (n=40-43) [J].

Fu, Wujun ;

Xu, Liaosa ;

Azurmendi, Hugo ;

Ge, Jiechao ;

Fuhrer, Tim ;

Zuo, Tianming ;

Reid, Jonathan ;

Shu, Chunying ;

Harich, Kim ;

Dorn, Harry C. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (33) :11762-11769

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