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• W2078218908 abstract "[MnLCl(H2O)3]·H2O complex (HL = 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide, sulfamethazine) has been synthesized and characterized by elemental analysis, TG/DTA, MS, FT-IR, UV–Vis, magnetic, electrochemical, and X-ray powder diffraction. The experimental studies were complemented by quantum chemical calculations at DFT/B3LYP level of theory. Sulfamethazine behaves as a mono-negatively bidentate ligand and interacts with Mn(II) ion through sulfonamidic (N15) and pyrimidic (N23) nitrogen atoms. Electronic structures were investigated using TD-DFT method and the descriptions of frontier molecular orbitals and the relocation of the electron density were determined. The voltammogram of NaL shows one irreversible one-electron process due to oxidation of p-amino group, and one anodic peak characteristic of reduction of SO2 group. The synthesized complex, in comparison to the parent drug, was screened for its antibacterial activity." @default.
• W2078218908 created "2016-06-24" @default.
• W2078218908 creator A5039240531 @default.
• W2078218908 date "2013-03-01" @default.
• W2078218908 modified "2023-10-02" @default.
• W2078218908 title "Molecular structure and spectroscopic properties of novel manganese(II) complex with sulfamethazine drug" @default.
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• W2078218908 doi "https://doi.org/10.1016/j.molstruc.2012.09.048" @default.
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