期刊
INORGANICA CHIMICA ACTA
卷 394, 期 -, 页码 436-445出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2012.08.025
关键词
Sulfamethazine; Antimicrobial; DFT; Magnetic; LANL2DZ; MEP
Ru(III) and Pt(II) complexes of sulfamethazine drug have been synthesized as antibacterial agents, aiming to enhance the biological activity of sulfamethazine drug against resistance development of some organisms and to throw more light about the debatable coordination behavior of sulfamethazine, and their structures were elucidated by several experimental and theoretical tools. Sulfamethazine acts as a bidentate ligand through sulfonamidic (N15) and pyrimidic (N23) nitrogen atoms. AC magnetic susceptibility measurements of RuIII complex showed anti-ferromagnetic behavior in 80-212 K with a Neel temperature at 128 K. Electrochemical studies revealed that -NH2 and -SO2 groups remain intact in complex formation. Antibacterial activity and structural activity relationship (SAR) showed that activity decreases with complex formation due to increase the energy of lowest unoccupied molecular orbital (E-LUMO), dipole moment, and charge on sulfonamidic nitrogen (N15) as a result of formation of covalent M-sulfonamidic bond, which in turn suppress the activity. (C) 2012 Elsevier B.V. All rights reserved.
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