Synthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on $N$-aminopyrimidine-2-one/2-thione

Authors

HATİCE GAMZE SOĞUKÖMEROĞULLARI
TUĞBA TAŞKIN TOK
FEYZA YILMAZ
İSMET BERBER
MEHMET SÖNMEZ

DOI

10.3906/kim-1412-81

Abstract

New mixed Schiff bases, Cu(II), Co(II), Ni(II), and Mn(II) complexes, were synthesized derived from 5-chloro-2-hydroxyacethophenone and 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/thione. These complexes were characterized by elemental analysis, magnetic measurements, molar conductivity, IR, electronic, NMR, and mass spectral studies. All the complexes showed nonelectrolytic behavior. Moreover, the newly synthesized mixed ligand complexes were evaluated for their in vitro antimicrobial efficiency against bacteria and yeast. The compound named Co(L$_{1}$L) had good antifungal activity against Candida species, but no profound antibacterial effect against bacterial strains. In addition, the ground state geometries of the complexes were optimized using a semi-empirical method at PM6 level, which is a suitable and effective basis set for organometallic and large structures to obtain information about their 3D geometries and electronic structures.

Keywords

Mixed ligand, Schiff bases, metal complexes, biological activity, molecular modeling, PM6

First Page

497

Last Page

509

Recommended Citation

SOĞUKÖMEROĞULLARI, HATİCE GAMZE; TOK, TUĞBA TAŞKIN; YILMAZ, FEYZA; BERBER, İSMET; and SÖNMEZ, MEHMET (2015) "Synthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on $N$-aminopyrimidine-2-one/2-thione," Turkish Journal of Chemistry: Vol. 39: No. 3, Article 2. https://doi.org/10.3906/kim-1412-81
Available at: https://journals.tubitak.gov.tr/chem/vol39/iss3/2