Journal article
On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters
Journal of the American Chemical Society, Vol.132(50), pp.17787-17794
12/22/2010
DOI: 10.1021/ja1053175
PMID: 21121652
Abstract
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.
Details
- Title: Subtitle
- On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters
- Creators
- Pere Miro - Institut Català d'Investigació QuímicaSimon PierrefixeMickael Gicquel - Institut Català d'Investigació QuímicaAdria Gil - Institut Català d'Investigació QuímicaCarlos Bo - ICIQ, Inst Chem Res Catalonia, Tarragona 43007, Spain
- Resource Type
- Journal article
- Publication Details
- Journal of the American Chemical Society, Vol.132(50), pp.17787-17794
- Publisher
- Amer Chemical Soc
- DOI
- 10.1021/ja1053175
- PMID
- 21121652
- ISSN
- 0002-7863
- eISSN
- 1520-5126
- Number of pages
- 8
- Grant note
- 2009FIC00026 / Generalitat de Catalunya 2009SGR259 / CIRIT of the Catalan Government CTQ2008-06549-CO2-02/BQU; CSD2006-0003 / MICINN of Spain; Ministry of Science and Innovation, Spain (MICINN); Spanish Government ICIQ Foundation; Foundation CELLEX
- Language
- English
- Date published
- 12/22/2010
- Academic Unit
- Chemistry
- Record Identifier
- 9984618526202771
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