Journal article
Uranyl-Peroxide Nanocapsules: Electronic Structure and Cation Complexation in [(UO2)(20)(mu-O-2)(30)](20-)
Inorganic chemistry, Vol.51(6), pp.3840-3845
03/19/2012
DOI: 10.1021/ic300029d
PMID: 22400797
Abstract
The pentagonal K-10[(UO2)(5)(mu-O-2)(5)(C2O4)(5)] species have been identified as the building blocks of uranyl-peroxide nanocapsules. The computed complexation energies of different alkali cations (Li+, Na+, K+, Rb+, and Cs+) with [(UO2)(5)(mu-O-2)(5)(O-2)(5)](10-) and [(UO2)(20)(mu-O-2)(30)](20-) species suggest a strong cation templating effect. In the studied species, the largest complexation energy occurs for the experimentally used alkali cations (Na+ and K+).
Details
- Title: Subtitle
- Uranyl-Peroxide Nanocapsules: Electronic Structure and Cation Complexation in [(UO2)(20)(mu-O-2)(30)](20-)
- Creators
- Pere Miro - Institut Català d'Investigació QuímicaCarles Bo - Institut Català d'Investigació Química
- Resource Type
- Journal article
- Publication Details
- Inorganic chemistry, Vol.51(6), pp.3840-3845
- Publisher
- Amer Chemical Soc
- DOI
- 10.1021/ic300029d
- PMID
- 22400797
- ISSN
- 0020-1669
- eISSN
- 1520-510X
- Number of pages
- 6
- Grant note
- ICIQ Foundation; Foundation CELLEX CTQ2011-29054-C02-02 / Spanish Ministerio de Economia y Competitividad (MINECO) 2009SGR-00462; 2009FIC00026 / Generalitat de Catalunya; General Electric
- Language
- English
- Date published
- 03/19/2012
- Academic Unit
- Chemistry
- Record Identifier
- 9984618527602771
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