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

DOI: 10.1039/C7DT00734E DOI Help

Authors: Abdal-Azim Al-Terkawi (Humboldt-Universität zu Berlin; Federal Institute for Materials Research and Testing (BAM);) , Gudrun Scholz (Humboldt-Universität zu Berlin) , Ana Guilherme Buzanich (Federal Institute for Materials Research and Testing (BAM)) , Stefan Reinsch (Federal Institute for Materials Research and Testing (BAM)) , Franziska Emmerling (Federal Institute for Materials Research and Testing (BAM)) , Erhard Kemnitz (Humboldt-Universität zu Berlin)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Dalton Transactions , VOL 46 , PAGES 6003 - 6012

State: Published (Approved)
Published: April 2017

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.

Subject Areas: Chemistry, Materials


Instruments: B18-Core EXAFS

Added On: 02/10/2017 10:31

Discipline Tags:

Inorganic Chemistry Materials Science Polymer Science Chemistry

Technical Tags:

Spectroscopy X-ray Absorption Spectroscopy (XAS) Extended X-ray Absorption Fine Structure (EXAFS)