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Experimental and Theoretical Investigation of 3D-Metal Complexes Derived from N-(1H-Benzimidazol-2-yl)-2-mercaptoacetamide Derivative

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1TitleTitle of DocumentExperimental and Theoretical Investigation of 3D-Metal Complexes Derived from N-(1H-Benzimidazol-2-yl)-2-mercaptoacetamide Derivative
2CreatorAuthor's name, affiliation, country NEELAMMA.M1*, G.H. ANURADHA2, S. SREEKANTH1 and B. MANOGNA3
1Department of Chemistry, University College of Science, Osmania University, Hyderabad-500004, Telangana, India
2Department of Chemistry, Sardarpatel College, Padmarao Nagar, Secunderabad-500025, Telangana, India
3Anurag Group of Institutions, Venkatapur, Ghatkesar, Medchal (Dist), Hyderabad- 500088, Telangana, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Metal complexes, DFT method, antibacterial, docking studies
4DescriptionAbstract New trinuclear metal complexes of Co(II), Ni(II), Cu(II) and Zn(II) with N-(1H-benzimidazol-2-yl)-2-mercaptoacetamide (BMA) were synthesized from chloride salts of relative metals in butanol medium. Synthesized metal complexes were characterized by elemental analysis, conductance measurements, IR, UV-Vis, ESR, TGA & DTA and magnetic susceptibility measurements. IR spectral data suggest that the ligand behaves as monobasic tridentate (NOS) with donor sites of azomethine nitrogen (ring), oxygen atom of carbonyl group and thio group. Physico-chemical data suggest tetrahedral geometry for Co(II), Ni(II) and Zn(II) complexes. Square planar intended for Cu(II) complex and all these complexes exhibits non-elecrolytic nature. The complexes were evaluated for their antimicrobial activity by in-vitro antimicrobial screening against bacteria Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Klebsiella Pneumonia. The results indicate that antimicrobial activity increased during metallation. A detailed analysis is done theoretically using DFT method with B3LYP/6-311G/LanL2DZ functional for ligand and complexes. Docking studies of ligand and metal complexes carried out using OPLS 2005 force field in Schrodinger suite.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2019.1571
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  8 , Number  (2), (2019)
12LanuguageEnglish=en en
13RelationSupp.files
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Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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