Title : ( Synthesis, experimental and theoretical characterization of tetra dentate N,N -dipyridoxyl (1,3-propylenediamine) salen ligand and its Co(III) complex )
Authors: Hossein Eshtiagh Hosseini , Mohammad Reza Housaindokht , , - - , Abbas Ali Esmaeili , Malihe Javan Khoshkholghb , Ali Morsali ,
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Abstract
Abstract 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.
Keywords
, Schiff, base ligand; salen; Co(III) complex; IR spectra; nmr; dft
@article{paperid:1009213,
author = {Eshtiagh Hosseini, Hossein and Housaindokht, Mohammad Reza and , and -, - and Esmaeili, Abbas Ali and Malihe Javan Khoshkholghb and Ali Morsali},
title = {Synthesis, experimental and theoretical characterization of tetra dentate N,N -dipyridoxyl (1,3-propylenediamine) salen ligand and its Co(III) complex},
journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
year = {2008},
volume = {71},
month = {April},
issn = {1386-1425},
pages = {1341--1347},
numpages = {6},
keywords = {Schiff-base ligand; salen; Co(III) complex; IR spectra; nmr; dft},
}
%0 Journal Article
%T Synthesis, experimental and theoretical characterization of tetra dentate N,N -dipyridoxyl (1,3-propylenediamine) salen ligand and its Co(III) complex
%A Eshtiagh Hosseini, Hossein
%A Housaindokht, Mohammad Reza
%A ,
%A -, -
%A Esmaeili, Abbas Ali
%A Malihe Javan Khoshkholghb
%A Ali Morsali
%J Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
%@ 1386-1425
%D 2008
