Author/Authors :
Beyramabadi ، S. Ali نويسنده Department of Chemistry, Faculty of Science, Mashhad Branch, Islamic Azad University, Mashhad, Iran , , Morsali، Ali نويسنده Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, P.O. Box 14155-4838 Tehran, I.R. IRAN , , Javan Khoshkholgh ، Malihe نويسنده Department of Chemistry, Faculty of Science, Birjand University, Birjand, Iran Javan Khoshkholgh , Malihe , Ali Esmaeili ، Abbas نويسنده Department of Chemistry, Faculty of Science, Birjand University, Birjand, Iran Ali Esmaeili , Abbas
Abstract :
Here, new N,N?-dipyridoxyl(4,4ʹ-diaminodiphenylether) Schiff-base ligand has been synthesized and characterized by IR, 1H NMR and mass spectrometry. Also, geometry optimization and theoretical assignment of IR spectrum of the ligand have been computed by employing density functional theory (DFT) method. Two pyridine rings and benzene rings in the bridge region are not in the same plane. The calculated results are good in agreement with the experimental ones, confirming validity of the optimized structure for the ligand.
