Yazar "İnaç, Hasan" seçeneğine göre listele

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  • Küçük Resim
    Öğe
    4’-Metil-3-Fenilakrilofenon Bileşiğinin Moleküler ve Kristal Yapı Analizi
    (2019) İnaç, Hasan; Yağcı, Nermin Kahveci
    Bileşiğin kristal yapısı (C16H14O) 296 K’de tayin edildi. Tek kristal bileşiğin yapısı tek kristal X-ışını kırınımı yöntemi kullanılarak belirlendi. Kristal yapının birim hücre parametreleri a=14.9921(9) Å, b=9.8460(4) Å, c=17.5570(11) Å, ?=90°, ?=105.721(5)°, ?=90° ve Z=8’dir. Bileşik monoklinik yapıda kristalleşmiş olup uzay grubu C 2/c’dir. Kristal yapıda moleküller arası C-H… O hidrojen bağları, (Bu C-H… O hidrojen bağları zayıf etkileşimli bağlardır) molekülleri üç boyutlu bir ağa bağlar. Bu zayıf etkileşimler, moleküllerin sentrosimetrik dimerik yapı oluşturmasına neden olur.
  • [ X ]
    Öğe
    Structural and Magnetic Study of Fe-15,83%Mn-2,18%V and Fe18,50%Mn-2,27%Cu Alloys
    (Kırıkkale Üniversitesi, 2019) Kahveci Yağcı, Nermin; İnaç, Hasan
    Inthis study, the microstructure and magnetic properties of martensitetransformation induced were investigated in Fe based alloys (Fe-15,83%Mn-2,18%Vve Fe-18,50%Mn-2,27%Cu alloys). Micro structures were studied with ScanningElectron Microscope. The effect of theadding V and Cu in Fe-Mn alloy on the magnetic properties has been investigatedby Mössbauer spectroscopy technique respectively. It was investigated that theadding of V and Cu  to Fe-Mn alloyreveals the ferromagnetic and paramagnetic properties of alloy respectively. Theother result of this study is the rate of Mn amount in Fe-Mn-X alloy. If the Mnrate in the Fe-Mn-X alloy is 18% or more, no ?-martensitic transformation havebeen observed. Thus, this study showed that the additional atom has greatimportance on changing the magnetic properties of alloys.
  • Küçük Resim
    Öğe
    Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex
    (Elsevier, 2024) İnaç, Hasan; Ashfaq, Muhammad; Dege, Necmi; Feizi-dehnayebi, Mehran; Munawar, Khurram Shahzad; Yağ, Nermin Kahveci; Poyraz, Cinar Emine
    The current work describes the synthesis, characterization, and theoretical investigation of a copper complex with a hydroxy functionalized Schiff base ligand. The complex [Cu(DHBEE)(2)] was characterized by UV-Visible, FT-IR, and mass spectrometry. The crystalline nature of [Cu(DHBEE)(2)] was examined using X-ray diffraction (XRD), revealing that the Cu2+ ion occupies a center of inversion symmetry and adopts a square planar geometry. The supramolecular assembly was stabilized by non-covalent interactions, which were further probed by Hirshfeld surface analysis along with the computation of energy of interaction between the molecular pairs and energy frameworks. Void analysis was carried out to check whether large cavities were present in the crystal or not. Density functional theory utilizing the B3LYP/LANL2DZ/6-311 G (d) level of theory indicates that the calculated bond lengths and bond angles of [Cu(DHBEE)(2)] support X-ray data. The O4 and O4(i) atoms are the sites for electrophilic attack due to the obtained results from the MEP map, Mulliken atomic charge, and Fukui function. Furthermore, HOMO-LUMO analysis verifies the enhanced chemical reactivity of the complex as compared to the ligand. The value of the energy gap for complex and ligand displays that the order of charge transfer rises as follows: [Cu(DHBEE)(2)] > (DHBEE).