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Polymorphous Al-MOFs Based on V-Shaped Linker Molecules: Synthesis, Properties, and in Situ Investigation of Their Crystallization
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
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Number of Authors: 9
2017 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 56, no 10, 5851-5862 p.Article in journal (Refereed) Published
Abstract [en]

The in situ and systematic high-throughput investigation of the system Al3+/4,4'-benzophenonedicarboxylic acid (H2BPDC)/DMF/H2O in the presence of various additives was carried out, and a new Al-MOF of composition [Al(OH)(BPDC)], denoted as CAU-21-BPDC, was obtained. Its crystal structure was determined from single-crystal X-ray diffraction data (space group I422, a = b = 17.2528(7) angstrom, c = 23.864(1) angstrom). The structure is built up by octanuclear rings of cis corner-sharing AlO6 polyhedra forming the inorganic building unit (IBU). These {Al8O8} IBUs are arranged in a bcu packing and connected via BPDC2(-) ions in a way that each IBU is linked via two linker molecules to each of the eight adjacent IBUs. Thus, accessible, one-dimensional modulated pores with a diameter between 3.6 and 6.5 angstrom are formed. In addition, tetrahedral cavities are formed by the BPDC2(-) linker molecules. The framework of CAU-21-BPDC is polymorphous with that of CAU-8-BPDC, which contains one-dimensional chains of trans corner-sharing AlO6 polyhedra connected by BPDC2(-) ions. Replacing H2BPDC by 4,4'-oxydibenzoic acid (H2ODB), which contains an oxygen atom between the phenyl rings instead of a keto group, leads to the synthesis of Al-MOFs isoreticular with CAU-8-BPDC and CAU-21-BPDC. In addition, a coordination polymer, [Al(HODB)2(OH)], was discovered and structurally characterized. The structure of CAU-8-ODB was refined from powder X-ray diffraction data, while a Pawley refinement was carried out for CAU-21-ODB to determine the lattice parameters and confirm phase purity. The structure of CAU-21-ODB was confirmed using density functional theory (DFT) calculations. A thorough characterization shows that the CAU-8 and CAU-21-type structures are stable up to 350 and 300 degrees C in air, respectively, almost independent of the linker molecules incorporated. The former MOFs are porous toward N-2 and CO2, while the latter only adsorb CO2.

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2017. Vol. 56, no 10, 5851-5862 p.
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Chemical Sciences
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URN: urn:nbn:se:su:diva-144833DOI: 10.1021/acs.inorgchem.7b00202ISI: 000401593800041PubMedID: 28453264OAI: oai:DiVA.org:su-144833DiVA: diva2:1121013
Available from: 2017-07-07 Created: 2017-07-07 Last updated: 2017-09-15Bibliographically approved

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