AU42:: An alternative icosahedral golden fullerene cage

被引：113

作者：

Gao, Y

Zeng, XC ^{[1
]}

机构：

[1] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA

[2] Univ Nebraska, Ctr Mat Res & Anal, Lincoln, NE 68588 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2005年 / 127卷 / 11期

关键词：

D O I：

10.1021/ja050435s

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present a new icosahedral gold fullerene, Au42, based on density functional theory calculations. The Au42 fullerene has a nanoscale hollow space that can hold up to 13 Au atoms. The Au42 fullerene also has a larger HOMO-LUMO gap compared to the compact-filling geometries. However, unlike the known gold fullerene Au32, the Au42 fullerene does not satisfy the 2(N + 1)2 aromatic rule and has a positive NICS value at the center of the cage. These two nanometer-sized gold fullerenes can be used as golden cages to accommodate other atoms or molecules for the purpose of studying fundamental chemistry because of their apparently dissimilar chemical characteristics, or they can be used as structural motifs to build highly stable core-shell nanoclusters or novel cluster-assembled materials. Copyright © 2005 American Chemical Society.

引用

页码：3698 / 3699

页数：2

共 45 条

[41] INOR 736-The Jahn-Teller effect in [M@Au12]q and [M@Pb12]q icosahedral cage clusters as interpreted by Dirac cluster calculations
Arratia-Perez, Ramiro
Hernandez-Acevedo, Lucia
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
[42] Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics
Pow, Robert W.
Xuan, Weimin
Long, De-Liang
Bell, Nicola L.
Cronin, Leroy
CHEMICAL SCIENCE, 2020, 11 (09) : 2388 - 2393
[43] D6h-Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic -Orbitals that Follow the Huckel (4n+2) rule
Munoz-Castro, Alvaro
CHEMPHYSCHEM, 2016, 17 (20) : 3204 - 3208
[44] Synthesis and structural analysis of the first nanosized platinum-gold carbonyl/phosphine cluster, Pt13[Au2(PPh3)2]2(CO)10(PPh3)4, containing a Pt-centered [Ph3PAu-AuPPh3]-capped icosahedral Pt12 cage
de Silva, N
Dahl, LF
INORGANIC CHEMISTRY, 2005, 44 (26) : 9604 - 9606
[45] DISTINCTIVE COMBINATORIAL ASPECTS OF NMR SPIN INVARIANCE FOR ICOSAHEDRAL EXO-CAGE SPIN CLUSTER PROBLEMS - SYMMETRY SUBDUCTION AND [LAMBDA] (S-60,P-LESS-THAN-OR-EQUAL-TO-3,4)-]GAMMA(S-60-DOWN-ARROW-T) MAPPING FOR C-13-FULLERENE AND THE ANALOGOUS BICLUSTER SYSTEMS, [C-13]60(6-), [(CF)-C-12]60, AND [(CF)-C-13]60
TEMME, FP
MITCHELL, CEJ
KRISHNAN, MS
MOLECULAR PHYSICS, 1993, 79 (05) : 953 - 964

← 1 2 3 4 5 →