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Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization

DOI: 10.1039/C7CE01906H 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) , Carsten Prinz (Federal Institute for Materials Research and Testing (BAM)) , Annett Zimathies (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: Crystengcomm , VOL 20 , PAGES 946 - 961

State: Published (Approved)
Published: December 2017
Diamond Proposal Number(s): 14663

Abstract: A series of Ca-based coordination polymers were prepared mechanochemically by milling Ca(OH)2 with phthalic acid (H2oBDC), isophthalic acid (H2mBDC), and terephthalic acid (H2pBDC). The hydrated compounds [Ca(oBDC)(H2O)] (1), [Ca(mBDC)(H2O)3.4] (2), and [Ca(pBDC)(H2O)3] (3) were prepared for the first time via mechanochemical routes. The refined structures were validated by extended X-ray absorption data. The new dehydrated compound [Ca(oBDC)] (1-H2O), obtained after the thermal post-treatment of 1 in a reversible phase transition process, was determined ab initio based on the powder X-ray diffraction (PXRD) data. The materials were thoroughly characterized using elemental analysis, thermal analysis, and spectroscopic methods: magic-angle spinning NMR and attenuated total reflection-infrared spectroscopy. The specific surface areas and sorption properties of the hydrated and dehydrated samples were determined using the isotherms of gas sorption and dynamic vapor sorption measurements.

Subject Areas: Chemistry, Materials


Instruments: B18-Core EXAFS

Added On: 21/02/2018 09:10

Discipline Tags:

Physical Chemistry Materials Science Polymer Science Chemistry

Technical Tags:

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