MS35-P09 X-Ray Study of Metal-Organic Framework Compounds Marek Fronc (Institute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, SK-81237 , Bratislava, Slovakia) Jozef Kožíšek (Institute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, SK-81237 , Bratislava, Slovakia) Lucian G. Bahrin (The “Petru Poni” Institute of Macromolecular Chemistry, no. 41A Grigore Ghica Voda Alley, 700487, Iasi, Romania) Lilia Clima (The “Petru Poni” Institute of Macromolecular Chemistry, no. 41A Grigore Ghica Voda Alley, 700487, Iasi, Romania) Sergiu Shova (The “Petru Poni” Institute of Macromolecular Chemistry, no. 41A Grigore Ghica Voda Alley, 700487, Iasi, Romania) Vasile Lozan (The “Petru Poni” Institute of Macromolecular Chemistry, no. 41A Grigore Ghica Voda Alley, 700487, Iasi, Romania)email: marek.fronc@stuba.skMetal-organic frameworks (MOFs) are porous materials consisting of inorganic metal nodes, known as secondary building units, bridged together by organic linkers. In the past few decades, MOFs have attracted a great deal of attention due to their potential applications in heterogenous catalysis, controlled drug release, selective adsorption or gas storage and separation. [1]
The organic ligand 3,3,5, 5’-Tetrakis(4-carboxyphenyl)bimesityl (H4L) used by us in the synthesis of several new MOFs was obtained through a Suzuki coupling reaction [2] between 3,3’,5,5’-tetraiodobismesitylene and 4-carboxyphenylboronic acid, in the presence of tetrakis(triphenylphosphine)palladium (0) as a catalyst. The MOFs were obtained by mixing the appropriate metals salt with H4L in DMF (Zn, Cd) or DMF/water (Mg, Ca, Na) in solvothermal conditions( heating at 80 °C for 48-72 hours).
All diffraction experiments were performed at Stoe STADIVARI diffractometer with a Dectris Pilatus 300 K detector and with an Genix3D Cu HF source (Cu-Kα, λ = 1.54186 Å).  Data were collected at 100 K with the use of a nitrogen gas open-flow cooler Cobra Oxford Cryosystems. For data reduction X-Area (Stoe, 2017) software package [3] was used. The crystal structures were solved and refined in OLEX 2 software using SHELX suite of programs.

Acknowledgement
This work has been supported by the Ministry of Education, Science, Research and Sport of the Slovak Republic within the Research and Development Operational Programme for the project “University Science Park of STU Bratislava”, ITMS 26240220084, co-funded by the European Regional Development Fund and also by support of the Research and Development Agency under the contract No. APVV-15-0079 and Scientific Grant Agency of the Slovak Republic VEGA (Project No.1/0871/16).
The financial support of European Social Fund for Regional Development, Competitiveness Operational Programme Axis 1 – Project “Novel Porous Coordination Polymers with Organic Ligands of Variable Length for Gas Storage”, POCPOLIG (ID P_37_707, Contract 67/08.09.2016, cod MySMIS: 104810) is gratefully acknowledged.

 
References:

[1] Janiak, C. (2003). Dalton Trans., 2781–2804.

[2] Moorthy, J. N. et al. (2005). J. Org. Chem. 70, 8568-8571.

[3] STOE & Cie GmbH (2016). X-Area 1.76, software package for collecting single-crystal data on STOE area-detector diffractometers, for image processing, scaling reflection intensities and for outlier rejection; Darmstadt, Germany.

Keywords: Metal-Organic Framework