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  • Küçük Resim
    Öğe
    2-[(E)-(Naphthalen-2-ylimino)methyl]- 4-(trifluoromethoxy)phenol.
    (Acta Crystallographica Section E Structure Reports Online, 2012) Pekdemir, Merve; Şahin, Zarife Sibel; Işık, Şamil; Ağar, Ayşe Alaman; Yıldırım, Sema Öztürk; Butcher, Ray J.
    In the title compound, C18H12F3NO2, the planes of the benzene ring and the naphthalene system form a dihedral angle of 47.21 (3) . The hydroxy group is involved in an intramolecular O—H N hydrogen bond. In the crystal, weak C—H O and C—H F interactions link the molecules related by translations along the c and a axes, respectively, into sheets.
  • Küçük Resim
    Öğe
    2-Chloro-4-{(E)-[(4-chlorophenyl)imino]- methyl}phenol
    (Acta Crystallographica Section E Structure Reports Online, 2012) Şahin, Zarife Sibel; Işık, Şamil
    In the title Schiff base compound, C13H9Cl2NO, the dihedral angle between the mean planes of the benzene rings is 10.20 (10) . The crystal structure is stabilized by O—H N hydrogen bonds and weak – stacking interactions [centroid–centroid distance = 3.757 (1) A ° ].
  • [ X ]
    Öğe
    Crystal Structure and Hirshfeld Surface Analysis of a Heterometallic Hofmann-Type-Like Compound
    (2024) Kartal, Zeki; Şahin, Zarife Sibel
    In this study; a new heterometallic compound defined by the open formula [Cd(H2O)2Ni(CN)4]4[Cd(H2O)4Ni(CN)4]5 was synthesized in crystal form. Consisting of components such as water molecules, [Ni(CN)4]2− anions, and cadmium transition metal atoms, this new crystal structure has no analogues which might have been previously obtained, even with other transition metal atoms. It is a new compound and a unique example of a crystal. The structural properties of this heterometallic compound have been characterized by single crystal X-ray diffraction spectroscopy (SC-XRD), FT-IR spectroscopy, thermal analysis and elemental analysis methods. According to the data obtained from the SC-XRD technique, this heterometallic compound has a monoclinic crystal system and a C2/c space group. The asymmetric unit of this compound consists of five Cd(II) ions, five Ni(II) ions, eighteen cyanide ligands, and fourteen coordinated water ligand molecules. In addition, theoretical calculations have been made with the Gaussian 03 program in order to obtain more information about this heterometallic Hofmann-type-like compound. The chemical properties of this new compound have been calculated using its HOMO and LUMO values and the natural bond orbital (NBO) analyses. In addition, Hirshfeld surface analysis of the asymmetric unit of this compound has been performed with the CrystalExplorer program. As a result of the Hirshfeld surface analysis, extensive information has been obtained about the weak intramolecular and intermolecular forces that form this new crystalline compound.
  • [ X ]
    Öğe
    Synthesis And Characterization of Two New Hofmann-Type-Like Compounds From Some Alkali Metal Atoms And Glycine Anhydride
    (2024) Kartal, Zeki; Şahin, Zarife Sibel
    In this study, two new compounds with their closed formula, C8H10K2N6NiO4, and C8H10Na2N6NiO4, were synthesized, the first in crystal form and the second in powder form. Various properties of these compounds were characterized by SC-XRD and FT-IR methods. Theoretical information about the compounds was obtained with the help of the Gaussian 03 program. The molecular formula that best reflects the structural properties of this first 3D compound, which is in crystalline form and has polymeric properties, can be given as {K2(GA)(H2O)2[Ni(CN)4]}n. With a similar thought, it can be suggested that the molecular formula that best reflects the structural properties of the second 3D compound in powder form and with polymeric properties will be {Na2(GA)(H2O)2[Ni(CN)4]}n. The asymmetric unit of the {K2(GA)(H2O)2[Ni(μ4-CN)4]}n compound is composed of a half Ni(II) ion, one K(I) cation, two cyanide ligands, a half GA ligand molecule, and one bounded water ligand molecule. The structure of the compound, which consists of 3D polymeric chains, is formed by various bonds between the GA molecule, K(I) cations, water ligand molecules, and Ni(CN)4 ions.
  • [ X ]
    Öğe
    The Structural and Thermal Characterization of New Cu-Arginate Complex; Experimental and Simulated Hydrogen Adsorbstion Properties
    (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.