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Frustrated flexibility in metal-organic frameworks

DOI: 10.1038/s41467-021-24188-4 DOI Help

Authors: Roman Pallach (Technische Universität Dortmund) , Julian Keupp (Ruhr-Universität Bochum) , Kai Terlinden (Technische Universität Dortmund) , Louis Frentzel-Beyme (Technische Universität Dortmund) , Marvin Kloß (Technische Universität Dortmund) , Andrea Machalica (Technische Universität Dortmund) , Julia Kotschy (Technische Universität Dortmund) , Suresh K. Vasa (Technische Universität Dortmund) , Philip A. Chater (Diamond Light Source) , Christian Sternemann (Technische Universität Dortmund) , Michael T. Wharmby (Deutsches Elektronen-Synchrotron (DESY)) , Rasmus Linser (Technische Universität Dortmund) , Rochus Schmid (Ruhr-Universität Bochum) , Sebastian Henke (Technische Universität Dortmund)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Nature Communications , VOL 12

State: Published (Approved)
Published: July 2021
Diamond Proposal Number(s): 15895 , 21262 , 21604

Open Access Open Access

Abstract: Stimuli-responsive flexible metal-organic frameworks (MOFs) remain at the forefront of porous materials research due to their enormous potential for various technological applications. Here, we introduce the concept of frustrated flexibility in MOFs, which arises from an incompatibility of intra-framework dispersion forces with the geometrical constraints of the inorganic building units. Controlled by appropriate linker functionalization with dispersion energy donating alkoxy groups, this approach results in a series of MOFs exhibiting a new type of guest- and temperature-responsive structural flexibility characterized by reversible loss and recovery of crystalline order under full retention of framework connectivity and topology. The stimuli-dependent phase change of the frustrated MOFs involves non-correlated deformations of their inorganic building unit, as probed by a combination of global and local structure techniques together with computer simulations. Frustrated flexibility may be a common phenomenon in MOF structures, which are commonly regarded as rigid, and thus may be of crucial importance for the performance of these materials in various applications.

Journal Keywords: Metal–organic frameworks; Porous materials; Solid-state chemistry

Diamond Keywords: Gas Separation

Subject Areas: Materials, Chemistry

Instruments: I15-1-X-ray Pair Distribution Function (XPDF)

Other Facilities: P02.1 at PETRA III


Discipline Tags:

Chemistry Material Sciences Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Scattering Pair Distribution Function (PDF) Total Scattering