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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4184374 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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