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

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

doi:10.1021/acs.inorgchem.5b02874

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

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

Chemistry & Nanoscience

Research output: Contribution to journal › Article › peer-review

77 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	1920-1925
Number of pages	6
Journal	Inorganic Chemistry
Volume	55
Issue number	4
DOIs	https://doi.org/10.1021/acs.inorgchem.5b02874
State	Published - 15 Feb 2016

Bibliographical note

Funding Information:
This work was supported by the Basic Science Research Program through the National Research Foundation (NRF) of K o r e a (NRF - 2013K1A3A1A04076417 ; NRF -2014R1A5A1009799; NRF-2014R1A1A2058815). The SCD and in situ XRPD experiments at PLS-II BL2D-SMC beamline were supported in part by MSIP and POSTECH (2015-second- 2D-009). The computational resources come from UNISTHPC and KISTI-PLSI. J.H.L. acknowledges the Global Ph.D. Fellowship (NRF-2013H1A2A1033501).

Publisher Copyright:
© 2016 American Chemical Society.

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title = "Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework",

abstract = "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.",

author = "Hyun, {Sung Min} and Lee, {Jae Hwa} and Jung, {Gwan Yeong} and Kim, {Yun Kyeong} and Kim, {Tae Kyung} and Sungeun Jeoung and Kwak, {Sang Kyu} and Dohyun Moon and Moon, {Hoi Ri}",

note = "Funding Information: This work was supported by the Basic Science Research Program through the National Research Foundation (NRF) of K o r e a (NRF - 2013K1A3A1A04076417 ; NRF -2014R1A5A1009799; NRF-2014R1A1A2058815). The SCD and in situ XRPD experiments at PLS-II BL2D-SMC beamline were supported in part by MSIP and POSTECH (2015-second- 2D-009). The computational resources come from UNISTHPC and KISTI-PLSI. J.H.L. acknowledges the Global Ph.D. Fellowship (NRF-2013H1A2A1033501). Publisher Copyright: {\textcopyright} 2016 American Chemical Society.",

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AU - Kim, Yun Kyeong

AU - Kim, Tae Kyung

AU - Jeoung, Sungeun

AU - Kwak, Sang Kyu

AU - Moon, Dohyun

AU - Moon, Hoi Ri

N1 - Funding Information: This work was supported by the Basic Science Research Program through the National Research Foundation (NRF) of K o r e a (NRF - 2013K1A3A1A04076417 ; NRF -2014R1A5A1009799; NRF-2014R1A1A2058815). The SCD and in situ XRPD experiments at PLS-II BL2D-SMC beamline were supported in part by MSIP and POSTECH (2015-second- 2D-009). The computational resources come from UNISTHPC and KISTI-PLSI. J.H.L. acknowledges the Global Ph.D. Fellowship (NRF-2013H1A2A1033501). Publisher Copyright: © 2016 American Chemical Society.

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N2 - 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.

AB - 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.

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

Abstract

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