Experimental and theoretical characterization of a new Schiff-base ligand

Journal of Chemical Reactivity and Synthesis

مقاله 6، دوره 1، شماره 1، مرداد 2011، صفحه 34-40   

نوع مقاله: Research Article

نویسندگان

S. Ali Beyramabadi^{* 1}؛ Ali Morsali¹؛ Malihe Javan Khoshkholgh²؛ Abbas Ali Esmaeili²

¹aDepartment of Chemistry, Faculty of Science, Islamic Azad University, Mashhad branch, Mashhad, Iran

²Department of Chemistry, Faculty of Science, Birjand University, Birjand, Iran

چکیده

Here, new N,N′-dipyridoxyl(4,4''-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.

کلیدواژه‌ها

DFT؛ IR Assignment؛ NMR؛ Schiff base؛ Dipyridoxyl