title: Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction.
abstract: 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.
authors.affiliation: Department of Applied Chemistry, National Defense Academy, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan.
authors.forename: Shinjiro
authors.initials: S
authors.lastname: Fujiyama
authors.affiliation: Department of Applied Chemistry, National Defense Academy, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan.
authors.forename: Shintaro
authors.initials: S
authors.lastname: Seino
authors.affiliation: Department of Applied Chemistry, National Defense Academy, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan.
authors.forename: Natsumi
authors.initials: N
authors.lastname: Kamiya
authors.affiliation: Department of Applied Chemistry, National Defense Academy, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan.
authors.forename: Koji
authors.initials: K
authors.lastname: Nishi
authors.affiliation: Department of Applied Chemistry, National Defense Academy, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan.
authors.forename: Yoshinobu
authors.initials: Y
authors.lastname: Yokomori
keywords: MFI-type zeolite; adsorption structure; dimethyl ether; silicalite-1; single-crystal structure analysis