Synthesis, Molecular Structure, Biological Activity, and Sensor Properties of ( E )-2-[(3,5-Bis(trifluoromethyl)phenylimino)methyl]-4,6-dichlorophenol

In the present study, a Schiff base ( E )-2-[(3,5-bis(trifluoromethyl)phenylimino)methyl]-4,6-dichlorophenol has been synthesized. Its spectroscopic and X-ray single-crystal data have been compared with the results of theoretical calculations based on the DFT method, as well as molecular electrostatic potential (MEP), HOMO and LUMO, and nonlinear optical (NLO) effects. Antimicrobial activity of the compound has been tested against some bacteria and fungi. According to UV-Vis and agarose gel electrophoresis methods, the compound interacts with DNA electrostatically and breaks it oxidatively. Antioxidant activity of the compound measured by the DPPH method, is lower than that of BHT.