Chemistry / Kimya

Permanent URI for this collectionhttps://hdl.handle.net/11147/4072

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End date: 2009Publisher: search.filters.publisher.TUBITAK

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  • Article
    Reactions of the Solvent-Stabilized Compound [moocl2(thf)2] With Aromatic Nitrogen Donor Ligands: Spectroscopic Characterization and Semiempirical Am1* Calculations
    (TUBITAK, 2009) Kılıçkaya, Gülşah; Doğan, Başak; Acar, Nursel; Sözüer, Hikmet Işıl
    Reaction of the solvent-stabilized dioxo-molybdenum(VI) compound [MoO2 Cl2 (THF)2]withP Ph3 yielded the oxomolybdenum(IV) species [MoOCl2 (THF)2](1) by the removal of one oxygen atom as PPh3 O. The complexes [MoOCl2 (=NC6 H4 CN)] 2,[MoOCl2 (CNC6 H4 OH)] 3,[MoOCl2 (=NC6 H4 NH2)] 4,and [MoOCl2 (=NC6 H4 OCH3)] 5, were synthesized by the reactions of [MoOCl2 (THF)2]with XC6 H4 Y(X =NH2, Y = CN; X= CN, Y = OH; X = Y = NH2;X=NH2,Y=OCH3). All the new compounds were characterized by elemental analyses, and FTIR, UV-Vis, and 1 H and 13 C-NMR spectra. Geometrical parameters and molecular orbital calculations showed that compounds 2-5 are stabilized by a charge transfer between the Mo center and the phenyl ring.
  • Article
    Citation - WoS: 2
    Citation - Scopus: 3
    Synthesis and Characterization of Nitrosyl[tris(3,5dimethylpyrazolyl) Borato]molybdenum Complexes Containing Aryloxo, Arylamido and Arylcyano Ligands
    (TUBITAK, 2005) Sözüer, Hikmet Işıl; Dülger İrdem, Seçkiner
    The complexes [MoTp*(NO)X(ZC6H4CN-p)] [Tp* = 3,5-dimethylpyrazolyl; X = Cl, Z = O and NH; X = I, Z = CN) were prepared and characterized using 1H-NMR, IR, FAB mass spectroscopy and micro analysis.
  • Article
    Citation - WoS: 16
    Citation - Scopus: 19
    Genetic Multivariate Calibration Methods for Near Infrared (nir) Spectroscopic Determination of Complex Mixtures
    (TUBITAK, 2004) Özdemir, Durmuş; Öztürk, Betül
    The simultaneous determination of ternary mixtures of methylene chloride, ethyl acetate, and methanol using near infrared (NIR) spectroscopy and 4 different genetic algorithms based multivariate calibration methods was demonstrated. The 4 genetic multivariate calibration methods are genetic partial least squares (GPLS), genetic regression (GR), genetic classical least squares (GCLS) and genetic inverse least squares (GILS). The sample data set contains the NIR spectra of 63 ternary mixtures and covers the range from 900 to 2000 nm in 2 nm intervals. Of these 63 spectra, 42 were used as the calibration set, and 21 were reserved for the prediction purposes. Several calibration models were built with the 4 genetic algorithm based methods for each component that makes up the mixtures. Overall, the standard error of calibration (SEC) and the standard error of prediction (SEP) were in the range of 0.22 to 2.5 (% by volume (v/v)) for all the 4 methods. A comparison of genetic algorithm selected wavelengths for each component and for each method was also included.