TY - JOUR
T1 - Tuning the Properties of Zr 6 O 8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers
AU - Wei, Ruiping
AU - Gaggioli, Carlo Alberto
AU - Li, Guozhu
AU - Islamoglu, Timur
AU - Zhang, Zhuxiu
AU - Yu, Ping
AU - Farha, Omar K.
AU - Cramer, Christopher J.
AU - Gagliardi, Laura
AU - Yang, Dong
AU - Gates, Bruce C.
N1 - Funding Information:
This work was supported as part of the Inorganometallic Catalyst Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (DE-SC0012702).
Publisher Copyright:
© 2019 American Chemical Society.
PY - 2019/3/12
Y1 - 2019/3/12
N2 - 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.
AB - 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.
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U2 - 10.1021/acs.chemmater.8b05037
DO - 10.1021/acs.chemmater.8b05037
M3 - Article
AN - SCOPUS:85062353155
SN - 0897-4756
VL - 31
SP - 1655
EP - 1663
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 5
ER -