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Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction

The adsorption structures of dimethyl ether (DME) on silicalite-1 zeolite (MFI-type) are determined using single-crystal X-ray diffraction. The structure of low-loaded DME-silicalite-1 indicates that all DME molecules are located in the sinusoidal channel, which is the most stable sorption site base...

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Autores principales: Fujiyama, Shinjiro, Seino, Shintaro, Kamiya, Natsumi, Nishi, Koji, Yokomori, Yoshinobu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4184374/
https://www.ncbi.nlm.nih.gov/pubmed/25274519
http://dx.doi.org/10.1107/S2052520614015911
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author Fujiyama, Shinjiro
Seino, Shintaro
Kamiya, Natsumi
Nishi, Koji
Yokomori, Yoshinobu
author_facet Fujiyama, Shinjiro
Seino, Shintaro
Kamiya, Natsumi
Nishi, Koji
Yokomori, Yoshinobu
author_sort Fujiyama, Shinjiro
collection PubMed
description The adsorption structures of dimethyl ether (DME) on silicalite-1 zeolite (MFI-type) are determined using single-crystal X-ray diffraction. The structure of low-loaded DME-silicalite-1 indicates that all DME molecules are located in the sinusoidal channel, which is the most stable sorption site based on the van der Waals interaction between DME and the framework. The configuration of guest molecules (linear or bent) plays an important role in determining where the stable sorption site is in the pore system of MFI-type zeolites. Bent molecules favor the sinusoidal channel, while linear molecules favor the straight channel. The contribution of DME–DME interactions is considerable in the high-loaded DME-silicalite-1 structure.
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spelling pubmed-41843742014-10-06 Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction Fujiyama, Shinjiro Seino, Shintaro Kamiya, Natsumi Nishi, Koji Yokomori, Yoshinobu Acta Crystallogr B Struct Sci Cryst Eng Mater Research Papers The adsorption structures of dimethyl ether (DME) on silicalite-1 zeolite (MFI-type) are determined using single-crystal X-ray diffraction. The structure of low-loaded DME-silicalite-1 indicates that all DME molecules are located in the sinusoidal channel, which is the most stable sorption site based on the van der Waals interaction between DME and the framework. The configuration of guest molecules (linear or bent) plays an important role in determining where the stable sorption site is in the pore system of MFI-type zeolites. Bent molecules favor the sinusoidal channel, while linear molecules favor the straight channel. The contribution of DME–DME interactions is considerable in the high-loaded DME-silicalite-1 structure. International Union of Crystallography 2014-10-01 /pmc/articles/PMC4184374/ /pubmed/25274519 http://dx.doi.org/10.1107/S2052520614015911 Text en © Shinjiro Fujiyama et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Fujiyama, Shinjiro
Seino, Shintaro
Kamiya, Natsumi
Nishi, Koji
Yokomori, Yoshinobu
Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title_full Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title_fullStr Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title_full_unstemmed Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title_short Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction
title_sort adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal x-ray diffraction
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4184374/
https://www.ncbi.nlm.nih.gov/pubmed/25274519
http://dx.doi.org/10.1107/S2052520614015911
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