Abstract

Novel mononuclear silver(I) complexes based on thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. Complexes 1 and 2 were prepared in good yields using a sonochemical method. X-ray diffraction studies revealed trigonal coordination geometry for the AgI atom in complex 1 and distorted trigonal pyramidal geometry in complex 2, according to τ4 parameter analysis. Investigation of photophysical properties revealed intense blue-greenish emissions both in solution and in the solid state when excited at 300 nm. This emission was tentatively attributed to mixed (M+X)LCT and IL electronic transitions taking place after ligand metalation, as shown by DFT calculations. Complete characterization of the prepared compounds was also performed, including 1H and 13C NMR experiments, elemental analysis, infrared spectroscopy, absorption/emission studies, and time-resolved luminescence experiments. The synthesized ligands and complexes 1 and 2 were also tested as antibacterial agents against two standard bacterial strains (Staphylococcus aureus ATCC 25923 and Escherichia coli ATCC 25922) and a panel of clinical S. aureus strains with distinct antibiotic-resistance profiles. Antitumor activity was investigated against melanoma cells (B16F10) and mammary carcinoma cells (4T1).

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