| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1337689 | Polyhedron | 2012 | 6 Pages |
Synthesis, characterization, DFT simulation and biological assays of two new metal complexes of 2-(2-thienyl)benzothiazole – BTT are reported. The complexes [Ag(BTT)2NO3] – AgBTT2 and [Au(BTT)Cl]·½H2O – AuBTT were obtained by mixing the ligand with silver (I) nitrate or gold(I) chloride in methanolic solution. Characterization of the complexes were based on elemental (C, H, N and S), thermal (TG-DTA) analysis, 13C and 1H NMR, FT-IR and UV–Vis spectroscopic measurements, as well as the X-ray structure determination for AgBTT2. Spectroscopic data predicted by DFT calculations were in agreement with the experimental data for both complexes. The ligand BTT was synthesized by the condensation of 2-thiophenecarboxaldehyde and 2-aminothiophenol in a microwave furnace. AgBTT2 has a monomeric structure. Both complexes show a good activity against Mycobacterium tuberculosis. Free BTT shows low antitubercular activity.
Graphical abstractThe complexes [Ag(BTT)2NO3] – AgBTT2 and [Au(BTT)Cl]·½H2O – AuBTT were characterized by elemental (C, H, N and S), thermal (TG-DTA) analyses, 13C and 1H NMR, FT-IR and UV–Vis spectroscopic measurements, as the X-ray structure determination for AgBTT2. Spectroscopic data predicted by DFT calculations are in agreement with experimental data for both complexes. Both complexes show good activity against Mycobacterium tuberculosis.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► Two new silver(I) and gold(I) complexes with 2-(2-thienyl)benzothiazole. ► X rays studies show a monomeric structure for the Ag(I) complex. ► IR, NMR 13C and 1H permitted to confirm nitrogen coordination only. ► The spectroscopic studies of the compounds were performed by DFT. ► Complexes show biological activities against Mycobacterium tuberculosis.
