Synthesis, characterization, theoretical calculations and biological studies of nano Sodium tetrafluoroborate (III)

Document Type: Reasearch Paper


1 Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran.

2 Department of Chemistry, Islamic Azad University, Ardabil Branch, Ardabil, Iran.



Synthesis, characterization, spectral and theoretical calculations of sodium tetrafluoroborate (III) (STFB) has been studied in this research. Sodium tetrafluoroborate (III) was synthesized by a sonochemical method and characterized by IR, UV/VIS, 11B-NMR and Mass spectrometer techniques. The nano compound was characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and IR spectroscopy. 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 antibacterial 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.