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Issue 18, 2017
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Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination

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Abstract

New fluorinated coordination polymers were prepared mechanochemically by milling the alkaline earth metal hydroxides MII(OH)2·xH2O (MII: Ca, Sr) with tetrafluoroisophthalic acid (H2mBDC-F4). The structures of [{Ca(mBDC-F4)(H2O)2}·H2O] (1) and [{Sr(mBDC-F4)(H2O)2}·H2O] (2) were determined based on ab initio calculations and their powder X-ray diffraction (PXRD) data. The compounds are isomorphous and crystallize in the orthorhombic space group P212121. The determined structures were validated by using extended X-ray absorption (EXAFS) data. The new materials were thoroughly characterized using elemental analysis, thermal analysis, magic angle spinning NMR, and attenuated total reflection-infrared spectroscopy. Further characterization methods such as BET, dynamic vapor sorption, and scanning electron microscopy imaging were also used. Our investigations indicate that mechanochemistry is an efficient method for preparing such materials.

Graphical abstract: Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination

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Supplementary files

Article information


Submitted
28 Feb 2017
Accepted
03 Apr 2017
First published
03 Apr 2017

Dalton Trans., 2017,46, 6003-6012
Article type
Paper

Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination

A. Al-Terkawi, G. Scholz, A. G. Buzanich, S. Reinsch, F. Emmerling and E. Kemnitz, Dalton Trans., 2017, 46, 6003
DOI: 10.1039/C7DT00734E

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