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

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dc.contributor.authorSoğukömeroğullari, Hatice Gamze
dc.contributor.authorTaşkin, Tuğba Tok
dc.contributor.authorYilmaz, Feyza
dc.contributor.authorSönmez, Mehmet
dc.contributor.authorBerber, İsmet
dc.date.accessioned2020-01-20T19:00:26Z
dc.date.available2020-01-20T19:00:26Z
dc.date.issued2015
dc.departmentSinop Üniversitesi
dc.description.abstractAbstract: 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(L1L) 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.
dc.identifier.endpage509en_US
dc.identifier.issn1300-0527
dc.identifier.issn1303-6130
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-84938600082
dc.identifier.startpage497en_US
dc.identifier.trdizinid171100
dc.identifier.urihttp://www.trdizin.gov.tr/publication/paper/detail/TVRjeE1UQXdNQT09
dc.identifier.urihttps://hdl.handle.net/11486/1633
dc.identifier.volume39en_US
dc.identifier.wosWOS:000356077100002
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofTurkish Journal of Chemistry
dc.relation.publicationcategoryDiğer
dc.subjectMühendislik
dc.subjectKimya
dc.titleSynthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on N-aminopyrimidine-2-one/2-thione
dc.typeOther

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