Yazar "Gunnaz, Salih" seçeneğine göre listele

Listeleniyor 1 - 2 / 2
  • [ X ]
    Öğe
    Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (?(NNN)over-cap?) and Bidentate Diamine Ligands ((NN)over-cap?): as Catalysts for Transfer Hydrogenation of Ketones
    (Amer Chemical Soc, 2011) Gunnaz, Salih; Ozdemir, Namik; Dayan, Serkan; Dayan, Osman; Cetinkaya, Bekir
    A series of neutral and cationic Ru(II) complexes (1-10), bearing pyridine-based tridentate ('(NNN) over cap'), pyridine-based bidentate ((NN) over cap'), and mixed '(NNN) over cap' + (NN) over cap' ligands, were synthesized by starting from [RuCl2(DMSO)(4)] and [RuCl2(p-cymene)](2) precursors. Solid-state structures of mixed-ligand complexes 9 and 10 were determined by single-crystal X-ray diffraction. Both complexes are unusual in that (NN) over cap' ligands were spontaneously oxidized in air under base-free conditions to give imine-amine bidentate ligands upon replacement of p-cymene by meridional '(NNN) over cap'. The complexes 1-10 were screened for transfer hydrogenation (TH) of aryl ketones with, 2-propanol. The highest catalytic activity was obtained with the :complexes containing tridentate '(NNN) over cap' and 7, which contain nonsulfonated 2-(aminomethyl)pyridine. However, for complexes 6(a-c), containing p-cymene (a facial tridentate ligand), a slower reaction rate was observed.
  • [ X ]
    Öğe
    Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine
    (Pergamon-Elsevier Science Ltd, 2013) Inkaya, Ersin; Gunnaz, Salih; Ozdemir, Namik; Dayan, Osman; Dincer, Muharrem; Cetinkaya, Bekir
    The title molecule, 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine (C33H25N5), was synthesized and characterized by elemental analysis, FT-IR spectroscopy, one- and two-dimensional NMR spectroscopies, and single-crystal X-ray diffraction. In addition, the molecular geometry, vibrational frequencies and gauge-independent atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of the title compound in the ground state have been calculated using the density functional theory at the B3LYP/6-311G(d,p) level, and compared with the experimental data. The complete assignments of all vibrational modes were performed by potential energy distributions using VEDA 4 program. The geometrical parameters of the optimized structure are in good agreement with the X-ray crystallographic data, and the theoretical vibrational frequencies and GIAO H-1 and C-13 NMR chemical shifts show good agreement with experimental values. Besides, molecular electrostatic potential (MEP) distribution, frontier molecular orbitals (FMO) and non-linear optical properties of the title compound were investigated by theoretical calculations at the B3LYP/6-311G(d,p) level. The linear polarizabilities and first hyper polarizabilities of the molecule indicate that the compound is a good candidate of nonlinear optical materials. The thermodynamic properties of the compound at different temperatures were calculated, revealing the correlations between standard heat capacity, standard entropy, standard enthalpy changes and temperatures. (c) 2012 Elsevier B.V. All rights reserved.