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

Citation data:

Inorganic chemistry, ISSN: 1520-510X, Vol: 55, Issue: 4, Page: 1920-5

Publication Year:
2016
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Repository URL:
http://scholarworks.unist.ac.kr/handle/201301/18383
PMID:
26819090
DOI:
10.1021/acs.inorgchem.5b02874
Author(s):
Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri
Publisher(s):
American Chemical Society (ACS); AMER CHEMICAL SOC
Tags:
Chemistry; POROUS COORDINATION-POLYMER; GAS-ADSORPTION; SINGLE-CRYSTAL; CARBON-DIOXIDE; CO2 ADSORPTION; SELECTIVE ADSORPTION; GUEST MOLECULES; MIL-53; TRANSFORMATION; SIMULATIONS
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article description
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.