Tuning the Properties of Zr 6 O 8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers

Ruiping Wei, Carlo Alberto Gaggioli, Guozhu Li, Timur Islamoglu, Zhuxiu Zhang, Ping Yu, Omar K. Farha, Chris Cramer, Laura Gagliardi, Dong Yang, Bruce C. Gates

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Abstract

The metal organic framework (MOF) UiO-66, which incorporates Zr 6 O 8 nodes, exhibits high stability under a wide range of conditions that commends it for potential applications. The MOF properties can be tuned by the choice of the groups bonded to the node defect sites and to the linkers. We report data for UiO-66 incorporating formate, acetate, benzoate, and trifluoroacetate on the nodes and ?NH 2 , ?OH, ?NO 2 , and phenyl substituents on the benzene rings of the benzene-1,4-dicarboxylic acid-derived linkers. The MOFs were characterized by IR and 1 H NMR spectroscopies, thermal gravimetric analysis, N 2 adsorption, X-ray diffraction crystallography, scanning and transmission electron microscopy, and electronic structure calculations. The ligands on the nodes were identified and quantified by 1 H NMR spectra of the MOFs digested in NaOH/D 2 O solutions. The effects of the node and linker groups on the electronic properties of the nodes have been quantified with IR spectra of the node μ 3 -OH groups and by density functional theory calculations, which are in good agreement with one another.

Original languageEnglish (US)
Pages (from-to)1655-1663
Number of pages9
JournalChemistry of Materials
Volume31
Issue number5
DOIs
StatePublished - Mar 12 2019

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formic acid
Benzene
Tuning
Metals
Ligands
Trifluoroacetic Acid
Dicarboxylic Acids
Crystallography
Gravimetric analysis
Benzoates
Electronic properties
Nuclear magnetic resonance spectroscopy
Electronic structure
Density functional theory
Acetates
Nuclear magnetic resonance
Transmission electron microscopy
Adsorption
X ray diffraction
Defects

Cite this

Tuning the Properties of Zr 6 O 8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers . / Wei, Ruiping; Gaggioli, Carlo Alberto; Li, Guozhu; Islamoglu, Timur; Zhang, Zhuxiu; Yu, Ping; Farha, Omar K.; Cramer, Chris; Gagliardi, Laura; Yang, Dong; Gates, Bruce C.

In: Chemistry of Materials, Vol. 31, No. 5, 12.03.2019, p. 1655-1663.

Research output: Contribution to journalArticle

Wei, Ruiping ; Gaggioli, Carlo Alberto ; Li, Guozhu ; Islamoglu, Timur ; Zhang, Zhuxiu ; Yu, Ping ; Farha, Omar K. ; Cramer, Chris ; Gagliardi, Laura ; Yang, Dong ; Gates, Bruce C. / Tuning the Properties of Zr 6 O 8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers In: Chemistry of Materials. 2019 ; Vol. 31, No. 5. pp. 1655-1663.
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