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Collective Breathing in an Eightfold Interpenetrated Metal–Organic Framework: From Mechanistic Understanding towards Threshold Sensing Architectures
Author(s) -
Roztocki Kornel,
Formalik Filip,
Krawczuk Anna,
Senkovska Irena,
Kuchta Bogdan,
Kaskel Stefan,
Matoga Dariusz
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201914198
Subject(s) - diamondoid , metal organic framework , density functional theory , molecule , benzene , materials science , linker , crystallography , chemistry , adsorption , chemical physics , nanotechnology , computational chemistry , organic chemistry , computer science , operating system
Functional materials that respond to chemical or physical stimuli through reversible structural transformations are highly desirable for the integration into devices. Now, a new stable and flexible eightfold interpenetrated three‐dimensional (3D) metal–organic framework (MOF) is reported, [Zn(oba)(pip)] n (JUK‐8) based on 4,4′‐oxybis(benzenedicarboxylate) (oba) and 4‐pyridyl functionalized benzene‐1,3‐dicarbohydrazide (pip) linkers, featuring distinct switchability in response to guest molecules (H 2 O and CO 2 ) or temperature. Single‐crystal X‐ray diffraction (SC‐XRD), combined with density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations, reveal a unique breathing mechanism involving collective motions of eight mixed‐linker diamondoid subnetworks with only minor displacements between them. The pronounced stepwise volume change of JUK‐8 during water adsorption is used to construct an electron conducting composite film for resistive humidity sensing.