Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal–Organic Framework

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• 作者：Sung-min Hyun ; Jae Hwa Lee ; Gwan Yeong Jung ; Yun Kyeong Kim ; Tae Kyung Kim ; Sungeun Jeoung ; Sang Kyu Kwak ; Dohyun Moon ; Hoi Ri Moon
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：February 15, 2016
• 年：2016
• 卷：55
• 期：4
• 页码：1920-1925
• 全文大小：412K
• ISSN：1520-510X

文摘

Flexible metal–organic frameworks (MOFs) show the structural transition phenomena, gate opening and breathing, upon the input of external stimuli. These phenomena have significant implications in their adsorptive applications. In this work, we demonstrate the direct capture of these gate-opening and breathing phenomena, triggered by CO₂ molecules, in a well-designed flexible MOF composed of rotational sites and molecular gates. Combining X-ray single crystallographic data of a flexible MOF during gate opening/closing and breathing with in situ X-ray powder diffraction results uncovered the origin of this flexibility. Furthermore, computational studies revealed the specific sites required to open these gates by interaction with CO₂ molecules.