Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in Solution

Kim E. Jelfs; Edwin Flikkema; Stefan T. Bromley

doi:10.1039/C1CC14674B

Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in Solution

Kim E. Jelfs, Edwin Flikkema, Stefan T. Bromley

Department of Physics

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

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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.

Original language	English
Pages (from-to)	46-48
Number of pages	3
Journal	Chemical Communications
Volume	48
Issue number	1
Early online date	14 Oct 2011
DOIs	https://doi.org/10.1039/C1CC14674B
Publication status	Published - 2012

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title = "Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in Solution",

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.",

author = "Jelfs, {Kim E.} and Edwin Flikkema and Bromley, {Stefan T.}",

note = "Sponsorship: Edwin Flikkema holds a RCUK fellowship.",

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AU - Jelfs, Kim E.

AU - Flikkema, Edwin

AU - Bromley, Stefan T.

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PY - 2012

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AB - 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.

UR - http://hdl.handle.net/2160/10945

U2 - 10.1039/C1CC14674B

DO - 10.1039/C1CC14674B

M3 - Article

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VL - 48

SP - 46

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JO - Chemical Communications

JF - Chemical Communications

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Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in Solution

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