Naslov
Metal-Hydride Organic Frameworks : synthesis and structure

Autori
Burazer, Sanja ; Popović, Jasminka ; Meden, Anton ; Mali, Gregor ; Filinchuk, Yaroslav ; Cerny, Radovan

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts 3rd European Crystallography School / Popović, Jasminka - Zagreb : Hrvatska udruga kristalografa, 2016, 52-52

Skup
3rd European Crystallography School

Mjesto i datum
Bol, Hrvatska, 25.09.2016. - 02.10.2016

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
HOFs

Sažetak
Clean and easy production from water and renewable energy classifies hydrogen as a great candidate for energy carrier. Problem of safe and efficient storage of hydrogen can be solved by solid state storage either through chemical bonding in crystalline compounds or by physical adsorption in porous materials. [1] A novel hybrid materials, metal-hydride organic frameworks (HOFs) are designed by interweaving of molecular building blocks of light-weight complex hydrides with organic linkers. Flexibility of the borohydride anion allows other cation coordination than usually available in coordination frameworks what results with great HOF’s properties (guest-host interactions, dehydrogenation properties). Also, advantage in this design is possibility to use directional anionic ligands other than hydrides and for this purpose we used imidazoles and its derivatives because the metal- imidazolate-metal angle of 145° is very similar to metal-borohydride-metal angle observed in Mg(BH4)2. [2] Standard ball-milling procedure under inert atmosphere was used for sample preparation. Two synthetic routes were explored, a solvent free and liquid-assisted grinding with different solvents (DMF, DMSO, THF, acetonitrile). [3] Chemicals used in synthesis were NaBH4, NaIm, MgBH4, HIm, 2-MeIm, ZnCl2 or other metal cations as starting reactants. First results on mono- and bi-metallic mixed anion (borohydride and imidazolate) frameworks based on Zn2+ and light alkali (Li+, Na+) or earth alkali (Mg) metal cations will be presented. Final products are polycrystalline and usually containing several novel crystalline phases of uncertain chemical composition, so we performed synchrotron high temperature insitu powder diffraction measurements on prepared compounds (T-ramping). [4] Structure solution was carried out by combining information obtained from electron density maps provided by Direct Methods and several direct space approaches such as Simulated annealing and Parallel tempering. [5] Results on change of microstructural parameters under the influence of temperature and results of NMR solid state measurements will also be presented.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

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