Adsorption process of phenol on silicalite-1 and crystal structure of phenol8.0–silicalite-1 using a single crystal X-ray diffraction method

The adsorption process of phenol on silicalite-1 was studied by single-crystal X-ray diffraction. The loading of phenol on silicalite-1 was performed for 24, 48, 72, and 168 h. Phenol molecules first diffused through the intersection forming hydrogen bonds with the oxygen atoms of the framework and then subsequently turned into the sinusoidal channel. As adsorption progressed, phenol molecules were located at the intersection and in the sinusoidal channel, and these two kinds of phenols interacted with each other. High-loaded phenol–silicalite-1 (8.0 molecules/unit cell) was obtained after 168 h of adsorption. It is clear that hydrogen bonds were present in the framework, based on the results of the single-crystal XRD measurements and an IR study.

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► Crystal structure of phenol8.0–silicalite-1 was determined using single-crystal XRD.
► Adsorption process of phenol on silicalite-1 was elucidated.
► Phenol molecules formed hydrogen bonds with the oxygen atoms of the framework.
► Intermolecular hydrogen bond was also observed by single-crystal XRD measurement and IR study.