SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF SCHIFF-BASE VANADIUM(V) COMPLEXES DERIVED FROM SALICYLDEHYDE WITH 1,2-DIAMINOPROPANE OR 2-PICOLYLAMINE
Kabel, K., Kamel, L., Abou-shahaba, R., El-Shenawy, A., Shahen, S., 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, 2017(6), 21-30. doi: 10.21608/absb.2017.8107
Khalid Kabel; L. Kamel; R. Abou-shahaba; Azza El-Shenawy; Seham Shahen; 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, 2017, 6, 2017, 21-30. doi: 10.21608/absb.2017.8107
Kabel, K., Kamel, L., Abou-shahaba, R., El-Shenawy, A., Shahen, S., 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, 2017(6), pp. 21-30. doi: 10.21608/absb.2017.8107
Kabel, K., Kamel, L., Abou-shahaba, R., El-Shenawy, A., Shahen, S., 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; 2017(6): 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 2017, Issue 6, 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
Khalid Kabel1; L. Kamel2; R. Abou-shahaba2; Azza El-Shenawy2; Seham Shahen2; Enas S. Dafallah3; Hassan I. Nimir email 4; Elmugdad A. Ali5; Mohamed R. Shehata6
1Petroleum Applications Department, Egyptian Petroleum Research Institute, Naser City, P.O. 11727, Cairo, Egypt.
2Department of Chemistry, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt.
3Department of Chemistry, Faculty of Science, Sudan University of science and technology
4Department of Chemistry & Earth Sciences, Qatar University, P.O. Box 2713, Doha, state of Qatar
5Department of Chemistry, Faculty of Science, Sudan University of science and technology, Sudan
6Department 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
1, 2-diaminopropane 2-picolyamine; Schiffbase; Vanadium(v); DFT calculations; Salicyldehyde
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