SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE
Dafallah, E., Nimir, H., Ali, E., Shehata, M. (2017). SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE. EKB Journal Management System, 28(Issue 1-A), 21-30. doi: 10.21608/absb.2017.8107
Enas S. Dafallah; Hassan I. Nimir; Elmugdad A. Ali; Mohamed R. Shehata. "SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE". EKB Journal Management System, 28, Issue 1-A, 2017, 21-30. doi: 10.21608/absb.2017.8107
Dafallah, E., Nimir, H., Ali, E., Shehata, M. (2017). 'SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE', EKB Journal Management System, 28(Issue 1-A), pp. 21-30. doi: 10.21608/absb.2017.8107
Dafallah, E., Nimir, H., Ali, E., Shehata, M. SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE. EKB Journal Management System, 2017; 28(Issue 1-A): 21-30. doi: 10.21608/absb.2017.8107

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

Al-Azhar Bulletin of Science
Article 3, Volume 28, Issue 1-A, June 2017, Page 21-30  XML PDF (1.08 MB)
Document Type: Original Article
DOI: 10.21608/absb.2017.8107
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Authors
Enas S. Dafallah1; Hassan I. Nimir email 2; Elmugdad A. Ali3; Mohamed R. Shehata4
1Department of Chemistry, Faculty of Science, Sudan University of science and technology
2Department of Chemistry & Earth Sciences, Qatar University, P.O. Box 2713, Doha, state of Qatar
3Department of Chemistry, Faculty of Science, Sudan University of science and technology, Sudan
4Department 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.
Keywords
Schiffbase; Vanadium(v); DFT calculations; Salicyldehyde; 1,2-diaminopropane 2-picolyamine
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