Framework structure of porous crystalline materials

International Conference on Applied Crystallography

October 17-19, 2016 Houston, USA

Rolando Roque-Malherbe

Dresden University of Technology, Germany

Posters & Accepted Abstracts: J Material Sci Eng

Abstract :

A great interest has been raised during the last years concerning gas storage in porous crystalline materials. Consequently, the synthesis of metal organic frameworks (MOFs), Prussian blue analogues (PBAs), nitroprussides (NPs), perovskites (PEs) and other porous crystalline materials along with their structural characterization and the investigation of their adsorption properties became a significant field in materials science. In this regard, metal-organic frameworks (MOFs) are materials consisting of metal nodes and organic spacers, showing permanent porosity while, transition metal cyanides display structures assembled with transition metals, attached through the linear cyanide, the basic component of the structure of PBAs is the linear, �M, �C � N �M � N � C �M, � chain; NPs are a group of metal cyanides, consisting of micro porous frameworks that assembled from [Fe(CN)5NO]2- units, bridged through M2+ cations by means of the CN- ligands. Finally, PEs are oxides possessing analogous structures with a general formula ABO3, where A is a cation larger in size than B, both enclosed in a close-packed perovskite cubic structure, in which the center of the cube is occupied by the A cation. Hence, the key question reported in this talk is how the structure of these materials is elucidated? To carry out this task these materials were studied with SEM, EDAX, IR and Raman spectrometry, TGA, X-ray diffraction, magnetic measurements and low and high pressure carbon dioxide adsorption. As a result, using the XRD data along with the Pawley and Rietveld methods and using the Bruker DIFFRACplus TOPAS� software package, the structures were elucidated, taking into account the literature information provided for similar compounds, and the atomic positions, Wyckoff sites and occupancy factors reported in the international tables for crystallography for the corresponding space group. Finally, the unit cell representation and the corresponding simulated XRD profile corresponding to the tested materials was generated with the software PowderCell-2.4

Biography :

Email: rroquemalh@aol.com