The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica

Lennon, D. , McFarlane, A., Geller, H., Silverwood, I. P., Cooper, R. I., Watkin, D. J., Parker, S. F. and Winfield, J. M. (2016) The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica. Physical Chemistry Chemical Physics, 18(26), pp. 17210-17216. (doi: 10.1039/C6CP01276K) (PMID:27182815)

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Abstract

A modern industrial route for the manufacture of methyl methacrylate involves the reaction of methyl propanoate and formaldehyde over a silica-supported Cs catalyst. Although the process has been successfully commercialised, little is known about the surface interactions responsible for the forward chemistry. This work concentrates upon the interaction of methyl propanoate over a representative silica. A combination of infrared spectroscopy, inelastic neutron scattering, DFT calculations, X-ray diffraction and temperature-programmed desorption is used to deduce how the ester interacts with the silica surface.

Item Type:Articles
Additional Information:The STFC Rutherford Appleton Laboratory is thanked for access to neutron beam facilities. Computing resources (time on the SCARF compute cluster for the CASTEP calculations and the Gaussian 03 calculations) was provided by STFC’s e-Science facility. Dr David Johnson and Dr Sabina Ziemian (Lucite International) are thanked for helpful discussions.
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Winfield, Professor John and Lennon, Professor David and Silverwood, Dr Ian and McFarlane, Dr Andrew
Authors: Lennon, D., McFarlane, A., Geller, H., Silverwood, I. P., Cooper, R. I., Watkin, D. J., Parker, S. F., and Winfield, J. M.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Physical Chemistry Chemical Physics
Publisher:Royal Society of Chemistry
ISSN:1463-9076
ISSN (Online):1463-9084
Published Online:09 May 2016
Copyright Holders:Copyright © 2016 Owner Societies
First Published:First published in Physical Chemistry Chemical Physics 18(26): 17210-17216
Publisher Policy:Reproduced in accordance with the publisher copyright policy

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