Computational and Analytical Studies of Metal Complexes of the Schiff Base (1R,2E)-1,2-di(furan-2-yl)-2-[(2-sulfanylphenyl)imino]ethanol

Abstract

We report a combined experimental and computational study of metal
complexes of the Schiff base of (1R,2E)-1,2-di(furan-2-yl)-2-[(2-
sulfanylphenyl)imino]ethanol. The molecular structures and infrared
spectra of Co, Ni, Cu and Zn complexes of schiff base ligand (1R,2E)-
1,2-di(furan-2-yl)-2-[(2-sulfanylphenyl)imino]ethanol are studied in
detail by molecular mechanics (MM+) and PM3 method. It has been
shown that the proposed structures for the compounds derived from
micro analytical, magnetic and various spectral data were consistent
with the energy environment calculated by molecular mechanics (MM+)
and semi empirical PM3 method. IR spectra simulated by PM3 method
is also in accordance with experimental data. Coordination effects on
ν(C=N) modes in the Schiff base ligands are in close agreement with
the observed results.