Issue 1, 2012
From the journal:

Chemical Communications

Evidence for atomic mixingvia multiple intermediates during the dynamic interconversion of silicate oligomers in solution†

Kim E. Jelfs,a   Edwin Flikkemab  and  Stefan T. Bromley*cd  

* Corresponding authors

a Department of Chemistry, University of Liverpool, Crown Street, Liverpool, UK

b Institute of Mathematics and Physics, Aberystwyth University, Penglais, Aberystwyth, Ceredigion, UK

c Department de Química Física & Institut de Química Teòrica i Computacional, Universitat de Barcelona, C/Martí i Franquès 1, E-08028 Barcelona, Spain
E-mail: s.bromley@ub.edu

d Institució Catalana de Recerca i Estudis Avançats (ICREA), E-08010 Barcelona, Spain

Abstract

We investigate Si8- and Si16-based silicate species via global optimisation searches and ab initio calculations and propose a new multi-mechanism interpretation of the experimentally observed atomic mixing of silicate oligomers in solution.

Graphical abstract: Evidence for atomic mixingvia multiple intermediates during the dynamic interconversion of silicate oligomers in solution

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Article information

DOI
https://doi.org/10.1039/C1CC14674B
Article type
Communication
Submitted
29 Jul 2011
Accepted
28 Sep 2011
First published
14 Oct 2011

Chem. Commun., 2012,48, 46-48

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Evidence for atomic mixingvia multiple intermediates during the dynamic interconversion of silicate oligomers in solution

K. E. Jelfs, E. Flikkema and S. T. Bromley, Chem. Commun., 2012, 48, 46 DOI: 10.1039/C1CC14674B

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