Synthesis, characterization, and DFT study of some transition metal complexes with Schiff base derived from 2-acetylthiophene and l-methionine

Synthesis, characterization, and DFT study of some transition metal complexes with Schiff base... New Schiff base; (S)-4-(methylthio)-2-((1-(thiophen-2-yl)ethylidene)amino) butanoic acid (LH); was synthesized by condensation of 2-acetyl thiophene with methionine in a mole ratio of 1:1 and characterized with1H-13C NMR, UV–Vis, FT-IR and MS methods. The metal complexes of manganese(II), cobalt(II), nickel(II), copper(II), and zinc(II) were prepared by direct reaction of the ligand (LH) and the metal chlorides which structurally characterized with spectroscopic methods, magnetic, and conductivity measurements. The data showed that the Schiff base LH ligand behaves as a bidentate via nitrogen atom of imine group and oxygen atom of carboxylic methionine moiety. The results obtained from magnetic moments, electronic spectra, mass spectra and elemental analyses confirmed the tetrahedral geometry around the central metal ions. The optimization of geometry, vibrational band assignments, frontier molecular orbitals, and absorption spectrum of the compounds were investigated by DFT/B3LYP/6–31 + G(d,p) methods. Natural bond orbital analysis was carried out for the investigation of major stabilizing orbital interactions. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Synthesis, characterization, and DFT study of some transition metal complexes with Schiff base derived from 2-acetylthiophene and l-methionine

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Publisher
Springer Netherlands
Copyright
Copyright © 2017 by Springer Science+Business Media Dordrecht
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-017-2898-3
Publisher site
See Article on Publisher Site

Abstract

New Schiff base; (S)-4-(methylthio)-2-((1-(thiophen-2-yl)ethylidene)amino) butanoic acid (LH); was synthesized by condensation of 2-acetyl thiophene with methionine in a mole ratio of 1:1 and characterized with1H-13C NMR, UV–Vis, FT-IR and MS methods. The metal complexes of manganese(II), cobalt(II), nickel(II), copper(II), and zinc(II) were prepared by direct reaction of the ligand (LH) and the metal chlorides which structurally characterized with spectroscopic methods, magnetic, and conductivity measurements. The data showed that the Schiff base LH ligand behaves as a bidentate via nitrogen atom of imine group and oxygen atom of carboxylic methionine moiety. The results obtained from magnetic moments, electronic spectra, mass spectra and elemental analyses confirmed the tetrahedral geometry around the central metal ions. The optimization of geometry, vibrational band assignments, frontier molecular orbitals, and absorption spectrum of the compounds were investigated by DFT/B3LYP/6–31 + G(d,p) methods. Natural bond orbital analysis was carried out for the investigation of major stabilizing orbital interactions.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Feb 25, 2017

References

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