On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters

被引：100
作者：
Miro, Pere
Pierrefixe, Simon
Gicquel, Mickael
Gil, Adria
Bo, Carlos [1 ]
机构：
[1] ICIQ, Inst Chem Res Catalonia, Tarragona 43007, Spain
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2010年 / 132卷 / 50期
关键词：
FULLERENE TOPOLOGIES; CAGE CLUSTERS; AB-INITIO; APPROXIMATION; SELECTIVITY; CHEMISTRY; ENERGIES;
D O I：
10.1021/ja1053175
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Uranyl-peroxide nanoclusters display different topologies based on square, pentagonal and hexagonal building blocks. Computed complexation energies of different cations (Li+, Na+, K+, Rb+, and Cs+) with [UO2(O-2)(H2O)](n) (n = 4, 5, and 6) macrocycles suggest a strong cation templating effect. The inherent bent structure of a U-O-2-U model dimer is demonstrated and justified through the analysis of its electronic structure, as well as of the inherent curvature of the four-, five-, and six-uranyl macrocyles. The curvature is enhaced by cation coordination, which is suggested to be the driving force for the self-assembly of the nanocapsules.
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收藏
页码：17787 / 17794
页数：8
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