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    Synthesis, crystal structure, spectral and thermal characterization of bis(o-vanillinato)-triethylenglycoldiiminecopper(II) and bis[(R)-(-)-hydroxymethylpropylimine o-vanillinato]copper(II)
    (Pergamon-Elsevier Science Ltd, 2009) Arslan, Figen; Odabasoglu, Mustafa; Olmez, Halis; Buyukgungor, Orhan
    The novel complexes bis(o-vanillinato)-triethylenglycoldiiminecopper(II) (1) and bis[(R)-(-)-hydroxymethylpropylimine o-vanillinato]copper(II) (2) have been synthesized and characterized by elemental analysis, magnetic susceptibility, spectral methods (UV-Vis and FT-IR), simultaneous TG, DTA techniques and X-ray diffraction. The crystal structure of (1) determined that the Cu atom is coordinated by two imine N atoms and two phenol O atoms from the Schiff base ligand in a slightly distorted square-planar coordination. The o-vanillinato ligands moieties of the molecule are in a trans configuration and the dihedral angle between the aromatic ring planes is 43.97(14)degrees. Compound (2) crystallizes in the triclinic space group P (1) over bar with unit-cell parameters a = 8.054(7), b = 8.684(7), c = 10.258(8) angstrom, alpha = 79.452(6)degrees, beta = 70.454(6)degrees, gamma = 65.427(6)degrees and Z = 1. The crystal structure of (2) has indicated that the complex is slightly distorted square planar and is chelated by the two imine N atoms and two phenol O atoms from the Schiff base ligand. The o-vanillinato ligands moieties of (2) are in a trans configuration and the torsion angle between the aromatic ring planes is 60.5(3)degrees. The crystal packing involves both hydrogen-bonding and C-H center dot center dot center dot pi interactions. Thermal analyses showed that the title compounds decompose in two stages over the temperature range 20-1000 degrees C in a static air atmosphere. (C) 2009 Elsevier Ltd. All rights reserved.
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    Synthesis, Crystal Structures and Spectrothermal Characterization of a Heptacoordinated Dimeric Salicylato Cadmium(H) Complex with 2,2?-Azobispyridine (abpy), (?-abpy)[Cd(HsaI)2(abpy)]2
    (Wiley-V C H Verlag Gmbh, 2010) Arslan, Figen; Olmez, Halis; Odabasoglu, Mustafa; Buyukgungor, Orhan
    mu-2,2'-Azobispyridinebis[2,2'-azobispyridinesalicylato(O)-salicylato(O,O') cadmium(II), (mu-abpY)[Cd(HsaI)(2)(abpy)](2) (I) was synthesized and characterized by IR and UV/Vis spectroscopy, thermal analysis, and X-ray diffraction techniques. Two abpy ligands and two salicylato ligands coordinate to the Cd2+ ion in a monocapped trigonal-prismatic arrangement. The capping atom is the N3 atom. One of the two abpy ligands behaves as a s-frame bridging ligand and adopts a s-cis/E/s-cis conformation, whereas the other one adopts as a s-cis/E/s-trans conformation. One of the two salicylato ligands acts as a monodentate ligand, which coordinates with the carboxylate oxygen atom, whereas the other one adopts bidentate coordination through two carboxylate oxygen atoms. The hydroxy groups of salicylato ligands, which coordinate in a monodentate fashion, are disordered over two positions, with occupancies of 0.52 for group A and 0.48 for group B. The decomposition reaction takes place in the temperature range 20-1000 degrees C under nitrogen. Thermal decomposition of the title complex proceeds in two stages.
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    Synthesis, Molecular Structure and DFT Study of 2-(N-Benzoylbenzamido)pyridine-3-yl benzoate
    (Springer/Plenum Publishers, 2011) Yuksektepe, Cigdem; Kazak, Canan; Ozdogan, Cem; Guvenc, Ziya B.; Buyukgungor, Orhan; Arslan, Figen; Odabasoglu, Mustafa
    The biologically important 2-amino-3-hydroxypyridine reacts with benzoyl chloride to give 2-(N-benzoylbenzamido)pyridine-3-yl benzoate. This synthesized compound has been studied by elemental analysis, X-ray crystallography and also theoretically by density functional theory (DFT) framework with B3LYP/6-311++G(d, p) level of theory. The molecules of this compound crystallize in the orthorhombic space group of P2(1)2(1)2(1) and the crystal packing involves both hydrogen-bonding and C-Ha <-pi interaction. The vibrational normal modes of the molecular structure are investigated by ab initio method for both infrared intensities (IR) and for Raman activities. Furthermore, the corresponding assignments are discussed. Hydrogen and carbon atoms of the benzene rings are found to be highly active. Also, experimentally obtained IR spectrum is presented and compared with the available theoretical data. Experimentally and theoretically obtained IR spectrum are in good agreement.