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.
authors.forename: Sung-min
authors.initials: SM
authors.lastname: Hyun
authors.forename: Jae Hwa
authors.initials: JH
authors.lastname: Lee
authors.forename: Gwan Yeong
authors.initials: GY
authors.lastname: Jung
authors.forename: Yun Kyeong
authors.initials: YK
authors.lastname: Kim
authors.forename: Tae Kyung
authors.initials: TK
authors.lastname: Kim
authors.forename: Sungeun
authors.initials: S
authors.lastname: Jeoung
authors.forename: Sang Kyu
authors.initials: SK
authors.lastname: Kwak
authors.affiliation: Beamline Division, Pohang Accelerator Laboratory , 80 Jigokro-127-beongil, Nam-gu Pohang, Gyungbuk 37673, Republic of Korea.
authors.forename: Dohyun
authors.initials: D
authors.lastname: Moon
authors.forename: Hoi Ri
authors.initials: HR
authors.lastname: Moon