Insvastigating with structure and spetroscobic methods molecules of (I) C17H22N3O2 and (II) C21H28BrFN3O of which contain Schiff bases

In this MSc thesis, the structural and spectroscopic properties of the C17H22N3O2 (I) ve C21H28BrFN3O (II) organic complexes which have schiff base were investigated by single crystal X-ray Diffraction (XRD), Infrared Spectroscopy (IR) and theoretical calculation methods. Investated crystals were synthesized in Ondokuz Mayis University, Department of Chemistry. The diffraction data for the indicated crystals were collected by Bruker AXS diffractometer in the Scientific and Technological Research Center in Aksaray University. As a result of analysis of the collected intensity data, the geometric parameters, intramolecular and intermolecular interactions of these crystals are obtained. The theoretical calculations in Gaussian 03W software package is used to support the results obtained experimentally. The geometry optimization and vibrational frequencies of the molecules was calculated by the help of DFT and HF methods. The electrostatic potential maps and frontier molecular orbitals are plotted by using Density Functional Theory. Compared with the theoretical and the experimental results were obtained, the result is that a good fit and achieved results are discussed in detail.