Synthesis, experimental and theoretical characterization of tetra dentate N,N'-dipyridoxyl (1,3-propylenediamine) salen ligand and its Co(III) complex.
The new tetra dentate dianionic H2PS (N,N'-dipyridoxyl (1,3-propylenediamine)) Schiff-base ligand and its octahedral Co(III) salen complex [Co(PS)(H2O)(CH3OH)]+CH3COO(-) were synthesized, where coordinating atoms of H2PS (N,N,O(-),O(-)) occupied equatorial positions with H2O and CH3OH as axial ligands. The nature of the H2PS and its complex were determined by elemental and spectrochemical (IR, UV-vis, 1H NMR and Mass) analysis. Also, the fully optimized geometries and vibrational frequencies of them together with the 1H NMR chemical shifts of H2PS have been calculated using density functional theory (B3LYP) method. Obtained structural parameters are in good agreement with the experimental data reported for similar compounds. The calculated and experimental results confirmed the suggested structures for the ligand and complex.
Department of Chemistry, Ferdowsi University of Mashhad, Mashhad, Iran. heshtiagh@ferdowsi.um.ac.ir
Hossein
H
Eshtiagh-Hosseini
Mohammad R
MR
Housaindokht
S Ali
SA
Beyramabadi
Samaneh
S
Beheshti
Abbas Ali
AA
Esmaeili
Malihe Javan
MJ
Khoshkholgh
Ali
A
Morsali
D002623:Chemistry Techniques, Analytical / Q000379:methods; D003035:Cobalt / Q000737:chemistry*; D003959:Diamines / Q000138:chemical synthesis* / Q000737:chemistry*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry / Q000379:methods; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011725:Pyridines / Q000737:chemistry; D011736:Pyridoxine / Q000031:analogs & derivatives* / Q000032:analysis / Q000138:chemical synthesis; D012545:Schiff Bases / Q000032:analysis / Q000138:chemical synthesis*; D012984:Software; D013056:Spectrophotometry, Ultraviolet
D003959:Diamines; D008024:Ligands; C538812:N,N'-dipyridoxyl (1,3-propylenediamine); D011725:Pyridines; D012545:Schiff Bases; D003035:Cobalt; D011736:Pyridoxine