Synthesis, characterization, theoretical calculations and biological studies of potassium trifluorothiocyanoborate (III)

Synthesis, characterization, spectral and theoretical calculations of potassium trifluorothiocya noborate (III) (PTFTCB) has been studied. Potassium trifluorothiocyanoborate (III) was synthesized and characterized by IR, UV/VIS, B-NMR and mass spectrometer techniques. The structure of synthesized compound was optimized at the B3LYP/LANL2DZ level of theory and theoretical parameters such as structural data, molecular specifications, and infrared spectra were extracted by using Gaussian 03 program. Theoretical data show good agreement with the experimental results. Biological properties of this compound such as antitumor and anti-bacterial properties studied. This new complex showed excellent antitumor activity against one kind of cancer cells that is K742 (human chronic myeloid leukemia) cells. Also, the compound was tested against the bacterial species Staphylococcus aureus, Escherichia coli, Staphylococcus epidermidis, Estreptococo B and Shigella.