Investigation of some organic and metal Schiff base compounds by experimental and computational methods

In this thesis, Bis{1-[[p-phenoxyphenylimino]methylenyl]-2- naphthalenolato -N,O} Cu, (E)-1-((3-chloro-4)-methylphenylimino)methyl)naphthalen-2-ol Cu, (E)-1-((3-chloro-4-methylphenyl imino) methyl) naphthalen-2-ol) and (E)-2,4-di-tert-butyl-6-((4-(methoxy-benzylimino)methyl) phenol Schiff base molecules were synthesized and characterized by X-ray diffraction method. In theoretical studies, Gaussian 09W and GausView 5.0 ready packet programs were executed. The Hartree Fock and Density Functional Theory were used for theoretical calculations. The energies of the molecules, dipole moments, charge distributions, molecular electrostatic potentials and boundary orbitals (HOMO and LUMO) were calculated. Theoretical studies have been selected as the base set of LANL2DZ.