SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE

Document Type : Original Article

Authors

1 Petroleum Applications Department, Egyptian Petroleum Research Institute, Naser City, P.O. 11727, Cairo, Egypt.

2 Department of Chemistry, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt.

3 Department of Chemistry, Faculty of Science, Sudan University of science and technology

4 Department of Chemistry & Earth Sciences, Qatar University, P.O. Box 2713, Doha, state of Qatar

5 Department of Chemistry, Faculty of Science, Sudan University of science and technology, Sudan

6 Department of Chemistry, Faculty of Science, University of Cairo, Giza, Egypt

Abstract

Two ligands were derived from two sciff-bases of salicylaldehyde with 1,2-diaminopropane, Sal-DAP (L1) and salicylsaldehyde with 2-picolyamine, Sal-PA (L2) and their novel dioxovanadium complexes were synthesized. The complexes C1, [VO2(Sal-DAP)] and C2, [VO2(Sal-PA)] are characterized by conductivity measurements, magnetic susceptibility, UV-Vis, IR, thermal analysis, 1H- and 13C-NMR.The molecular structure of the complexes C1 and C2 were confirmed using the DFT calculation to obtain the optimized geometries using the Gaussian09 program at the B3LYP/LANL2DZ level of theory. The vanadium atoms in the two complexes were coordinated in distorted trigonal bipyramidal geometries with L1 acting as a tridentate ligand through nitrogen atoms and one deprotonated phenol oxygen atom leaving the other phenol group free, and L2 acting as a tridentate ligand through nitrogen atoms and deprotonated phenol oxygen atom.

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Al-Azhar Bulletin of Science
Volume 2017, Issue 6
May and June 2017
Pages 21-30

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