Synthesis, spectroscopic characterization, DFT studies, and preliminary antimicrobial evaluation of new antimony(III) and bismuth(III) complexes derived from 1,3,5-triazine

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dc.creatorMartins, Evandro Paulo Soares
dc.creatorLima, Edeltrudes de Oliveira
dc.creatorMartins, Felipe Terra
dc.creatorVasconcellos, Mário Luiz Araujo de Almeida
dc.creatorRocha, Gerd Bruno da
dc.date.accessioned2023-11-23T12:55:43Z
dc.date.available2023-11-23T12:55:43Z
dc.date.issued2019
dc.description.abstractHere in, we describe the synthesis and characterizations of 2,4,6-tris(thiomorpholine)-1,3,5-triazine, 2,4,6-tris(piperazine)-1,3,5-triazine and their new Sb(III) and Bi(III) complexes. Characterizations of the ligands and complexes were carried out by elemental analysis, thermogravimetric analysis (TGA), and spectroscopic methods such as infrared (IR), 1H and 13C nuclear magnetic resonance (NMR), and single crystal X-ray. Theoretical vibrational frequencies and 1H and13C NMR chemical shifts of free ligands as well as their Sb(III) and Bi(III) complexes have been calculated using density functional theory (DFT/B3LYP and M06-2X) methods. Our theoretical results matched the corresponding experimental data and helped with the interpretation of the IR and 1H and 13C NMR spectra. The antimicrobial in vitro studies were carried out against bacterial species Staphylococcus aureus and fungal species Candida albicans, Candida tropicalis, and Candida krusei by the microdilution method. The preliminary antimicrobial evaluations indicated that Sb(III) complexes showed moderate activities against all tested strains of bacterial and fungal with minimum inhibitory concentration (MIC) in range of 512–1024 μg mL−1.
dc.identifier.citationMARTINS, Evandro Paulo Soares et al. Synthesis, spectroscopic characterization, DFT studies, and preliminary antimicrobial evaluation of new antimony(III) and bismuth(III) complexes derived from 1,3,5-triazine. Journal of Molecular Structure, Amsterdam, v. 1183, p. 373-383, 2019. DOI: 10.1016/j.molstruc.2019.01.096. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0022286019301140?via%3Dihub. Acesso em: 22 nov. 2023.
dc.identifier.doi10.1016/j.molstruc.2019.01.096
dc.identifier.issne- 1872-8014
dc.identifier.issn0022-2860
dc.identifier.urihttps://www.sciencedirect.com/science/article/abs/pii/S0022286019301140?via%3Dihub
dc.language.isoeng
dc.publisher.countryHolanda
dc.publisher.departmentInstituto de Química - IQ (RMG)
dc.rightsAcesso Restrito
dc.subject1,3,5-Triazine
dc.subjectAntimony(III) and bismuth(III) complexes
dc.subjectSingle crystal X-ray structure
dc.subjectDFT calculations
dc.subjectAntimicrobial activity
dc.titleSynthesis, spectroscopic characterization, DFT studies, and preliminary antimicrobial evaluation of new antimony(III) and bismuth(III) complexes derived from 1,3,5-triazine
dc.typeArtigo

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