کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1403152 1501779 2013 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular structure and spectroscopic properties of novel manganese(II) complex with sulfamethazine drug
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Molecular structure and spectroscopic properties of novel manganese(II) complex with sulfamethazine drug
چکیده انگلیسی

[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.


► 3d-Electron populations of 5.72 are in agreement with ligand to dMn electron transfer.
► Sodium sulfamethazine acts as a center for nucleophilic reaction.
► Biological activity is affected by strength of ML bond.
► One cathodic peak (MnIIMnI) is observed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1035, 13 March 2013, Pages 114–123
نویسندگان
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