Mechanochemical Synthesis, Characterization, and Structure Determination of New Alkaline Earth Metal-Tetrafluoroterephthalate Frameworks: Ca(pBDC-F4)·4H2O, Sr(pBDC-F4)·4H2O, and Ba(pBDC-F4)

• DOI: 10.1021/acs.cgd.5b01457
• Publication Date: 2016-03-07T15:57:33Z
• Authors: Abdal-Azim Al-Ter...; Gudrun Scholz; Franziska Emmerling; Erhard Kemnitz
• Keywords: Alkaline earth metal; Barium; Rietveld Refinement; Magic angle spinning; Powder Diffraction

New fluorinated alkaline earth metal–organic frameworks were successfully synthesized by milling of metal hydroxides M(OH)2 with tetrafluoroterephthalic acid H2pBDC-F4. Both calcium- and strontium-tetrafluoroterephthalates are tetrahydrated, while the barium tetrafluoroterephthalate is free coordinating water molecules. The two isomorphic structures Ca(pBDC-F4)·4H2O Sr(pBDC-F4)·4H2O solved from powder diffraction data ab initio structure determination subsequent Rietveld refinement. products thoroughly characterized elemental analysis, thermal magic-angle spinning NMR, Fourier transform infrared spectroscopy, scanning electron microscopy imaging, Brunauer–Emmett–Teller measurements. Our findings suggest that mechanochemical synthesis route a promising approach for preparation new frameworks.