High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers

Tollitt, Adam M ORCID: 0000-0001-9470-6095, Vismara, Rebecca, Daniels, Luke M ORCID: 0000-0002-7077-6125, Antypov, Dmytro ORCID: 0000-0003-1893-7785, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Katsoulidis, Alexandros P ORCID: 0000-0003-0860-7440 and Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 (2021) High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60 (52). pp. 26939-26946. ISSN 1433-7851, 1521-3773

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Abstract

We report a metal-organic framework where an ordered array of two linkers with differing length and geometry connect [Zr<inf>6</inf>(OH)<inf>4</inf>O<inf>4</inf>]¹²⁺ clusters into a twelve-connected fcu net that is rhombohedrally distorted from cubic symmetry. The ordered binding of equal numbers of terephthalate and fumarate ditopic carboxylate linkers at the trigonal antiprismatic Zr<inf>6</inf> core creates close-packed layers of fumarate-connected clusters that are connected along the single remaining threefold axis by terephthalates. This well-defined linker arrangement retains the three-dimensional porosity of the Zr cluster-based UiO family while creating two distinct windows within the channels that define two distinct guest diffusion paths. The ordered material is accessed by a restricted combination of composition and process parameters that were identified by high-throughput synthesis.

Item Type:	Article
Uncontrolled Keywords:	chemical space, high-throughput synthesis, Metal-organic frameworks, ordered linkers, rhombohedral distortion
Divisions:	Faculty of Science & Engineering > School of Physical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	10 Sep 2021 09:55
Last Modified:	16 Jun 2026 10:38
DOI:	10.1002/anie.202108150
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3136610
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