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    Diphenic acid/nicotinamide and 1,10-phenanthroline complexes of CoII, CuII and ZnII. Synthesis and structural investigation
    (Elsevier Ltd, 2016) Şahin, Zarife Sibel; Şahin, Onur; Dağlı, Özge; Köse, Dursun Ali
    The complexes of diphenic acid with CoII and CuII metals and diphenic acid/nicotinamide mixed ligand with CoII and ZnII metals were synthesized and characterized of structural properties by elemental analysis, FT-IR spectra, thermo analytic TG-DTG/DTA and crystal X-ray diffraction methods. The pure ligand complexes of diphenic acid (C14H16O8Co (1), C14H16O8Cu (2)) and mixed ligand complexes of diphenic acid/nicotinamide (C40H38N4O14Co (3), C40H38N4O14Zn (4)) are similar to each other and they have P21, P21/n and space groups. The diphenic acid ligands in 1 and 2 complexes were coordinated to metal cations as dianionic bridge and in the others complexes (3 and 4) it was involved as monoanionic counter ion. The complexes of 1 and 2 are linked into sheets by a combination of O–H?O hydrogen bonds and the others complexes of 3 and 4 are linked into sheets by a combination of O–H?O, N–H?O and C–H?O hydrogen bonds. All of the complexes structures have distorted octahedral geometry. According to TG/DTG-DTA analysis, thermal decomposition of complexes starts with dehydration of coordinated aqua ligands. After the dehydration, neutral nicotinamide ligands start to decompose in mixed ligand complexes. Lastly, anionic diphenic acid ligands decompose and corresponding metal oxides remain as residual products of thermal degradation in reaction vessel.
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    Öğe
    Novel 2D micro-porous metal-organic framework for hydrogen storage
    (Elsevier Ltd, 2016) Öztürk, Zeynel; Köse, Dursun Ali; Şahin, Zarife Sibel; Özkan, Göksel; Asan, Abdurrahman
    A novel two dimensional Metal-Organic Framework (MOF) structured compound with trimesic acid (TMA), 1,10 Phenantroline (Phen) and Cu(II) building blocks were synthesized and characterized experimentally. Then Grand Canonical Monte Carlo (GCMC) simulation calculations used for determination of hydrogen adsorption capacity and surface characteristics of the compound theoretically. Three different regions were determined for the adsorbent, which were micro, micro/sub-meso spaces inside the adsorbent and the surface regions. It is found that the synthesized compound could uptake approx. 1.3 and 1.2 wt.% hydrogen at 77 K, 100 bars and 1 bar respectively. Thus the adsorbent that is synthesized in this work have strong hydrogen adsorption capability in comparison to the previously reported ones. © 2016 Hydrogen Energy Publications LLC
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    Öğe
    Novel coordination compounds of alkaline earth metals with coumarilic acid. Synthesis and characterization
    (Elsevier B.V., 2021) Karaer, Emrah; Köse, Dursun Ali; Şahin, Zarife Sibel; Şahin, Onur
    In this study, novel coordination compounds of coumarilic acid with 2A group alkaline earth metal cations [Mg2+ (1), Ca2+ (2), Sr2+ (3) and Ba2+(4)] were synthesized and structural characterized. The structural properties of the new molecules obtained were studied by melting point, elemental analysis, infrared spectroscopy, single crystal x-ray diffraction (SC-XRD), powder x-ray diffraction (P-XRD) spectroscopy. In addition, the thermal stability of the compounds were examined by thermal analysis (TGA/DTA) curves in an inert nitrogen atmosphere. When the structural properties of the molecules were examined, it was seen that the structure numbered 1 {[Mg(H2O)6].2(C9H5O3)} differed from the others and it was a kind of aqua complex. The coumarilate anions anionically located outside the coordination sphere serve as the counter-ion of the molecule. It has been determined that the other structures 2 {?-(H2O)2[Ca(C9H5O3)(H2O)3]2.2(C9H5O3)}, 3 {?-(H2O)3[Sr(C9H5O3)(H2O)2]2.2(C9H5O3)} and 4 {?-(H2O)3[Ba(C9H5O3)(H2O)2]2.2(C9H5O3)} are in polymeric form and the coordination number of metals are eight. According to the spectroscopic analysis, these three structures are thought to be in isostructure form. It has been determined that in the unit cell in the structure 3 whose single crystal structure has been resolved, aqua and coumarilate ligands of two metal cations are connected to each other in the bridge position and coordination is ensured with aqua and bidentate anionic coumarilate ligands located in the terminal position. At the end of thermal decomposition, it was determined that relevant metal oxide residues remained in all structures and this situation was defined by powder XRD. © 2021
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    Öğe
    Novel monoanionic diphenate-nicotinamide/N,N-diethylnicotinamide complexes of Ni-II, Zn-II. Synthesis, structural investigations and hydrogen adsorption study
    (Elsevier, 2020) Yurdakul, Ömer; Şahin, Zarife Sibel; Köse, Dursun Ali; Şahin, Onur; Akkurt, Fatih
    The coordination compounds and polymers in which the transition metals are taken centrally are of interest due to their very different properties. The studies on the synthesis and structural properties of these compounds due to their potential applications for nanotechnology, sensor applications, magnets, optoelectronics, energy conversation and storage, gas storage, separation, catalysis and similar industrial applications are of great interest
  • Küçük Resim
    Öğe
    The structural and thermal characterization of new Cu-Arginate complex; experimental and simulated hydrogen adsorbstion properties
    (Hitit University, 2016) Şahin, Zarife Sibel; Öztürk, Zeynel; Yurdakul, Ömer; Köse, Dursun Ali
    The copper-arginate complex was synthesized and characterized by using FTIR, TG/DTA-DrTG, UV-Vis spectroscopy and elemental analysis methods. In addition, experimental and theoretical hydrogen storage capabilities were investigated. The unit cell of complex structure included that one mole CuII as centered cation and one mole of free NaI cation and one mole of NaSO4- as coordinated to arginine ligand and two moles of arginate ligands and one mole of aqua ligand as coordinated to NaSO4-. The CuII cation had square-pyramidal coordination sphere and the Na1 metal cation had trigonal coordination scheme. The other sodium metal cation (Na2) was implemented in the released position as counter ion of NaSO4-. It was found that the arginine complex, synthesized in this work have 0.533 m2/g BET surface area and 6.92E-3 wt. % hydrogen storage capacity at 77 K and 1 bar while simulated value was 3.27E-3 wt. % for the same conditions.
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    Öğe
    The synthesis and structural characterization of transition metal coordination complexes of coumarilic acid
    (Springer Netherlands, 2017) Dağlı, Özge; Köse, Dursun Ali; Şahin, Onur; Şahin, Zarife Sibel
    The coumarilate (coum?) complexes of CoII(1), NiII(2) CuII(3) and ZnII(4) were synthesized and characterized by elemental analysis, magnetic susceptibility, solid-state UV–Vis, FTIR spectra, thermoanalytical TG–DTG/DTA and single-crystal X-ray diffraction methods. It was found that all of the complex structures have 2 mol (coum?) ligand bonded as monoanionic monodentate in the structures of 1 and 2 while they were coordinated to metal cations as monoanionic bidentate in the complexes 3 and 4. There was not any hydrate water in the metal complexes. The complexes of 1 and 2 have four moles of aqua ligand, and the other complexes have two moles. Thermal decomposition of each complex starts with dehydration, and then the decomposition of organic parts goes. The thermal dehydration of the complexes takes place in one (for the compounds of 2, 3, 4) or two (for the compound 1) steps. The decomposition mechanism and the thermal stability of the complexes under investigation were determined on the basis of their structures. Metal oxides were obtained as the final decomposition product.