화학공학소재연구정보센터
Journal of Industrial and Engineering Chemistry, Vol.105, 378-383, January, 2022
Long-Range alignment of liquid crystalline small molecules on Metal-Organic framework micropores by physical anchoring
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In this study, we are the first to observe the alignment behaviors of various assembling molecules with different feature sizes and shapes, including rod-, disc-, and column-shaped molecules, on zeolitic imidazolate framework-8 (ZIF-8) surfaces. Among the various rod-shaped 4-alkyl-4'-cyanobiphenyls (nCBs), those with short alkyl chains with less than nine hydrocarbons (e.g., 5CB, 6CB, 8CB, and 9CB) were vertically aligned on the ZIF-8 surface, while nCBs with long alkyl chains with more than 10 hydrocarbons (e.g., 10CB and 11CB) were randomly oriented on the surface. Unlike rod-shaped small molecules, the disc- and column-shaped molecules were randomly oriented on the ZIF-8 surface. A molecular dynamic simulation revealed that the vertical alignment of rod-shaped molecules on the ZIF-8 surface can be attributed to physical anchoring by the ZIF-8 micropores. Most portions of the alkyl chain of nCB with shorter alkyl chain lengths (n ≤ 9) can be inserted into the ZIF-8 aperture, while nCBs with longer alkyl chain lengths (n > 9) cannot be adequately anchored in the ZIF-8 aperture. According to these results, we believe that MOF materials with micropores can offer an effective tool for controlling the orientation of various functional small molecules.
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