Vibrational spectroscopic investigation and antibacterial activity studies on Trichloroisocyanuric acid

Abstract In the present work, a quantum chemical approach is followed to study the molecular geometry, vibrational spectra, thermodynamic and molecular electrostatic potential of the title compound. Experimental techniques of FTIR, FT-Raman and UV–Visible were used to study the vibrational and electronic spectrum. The complete vibrational band assignment has been made on the basis of PED distribution and the values are proposed. The thermodynamic properties were calculated at different temperatures and corresponding relations between the properties and temperature were also studied. The antibacterial activity of the title compound was examined against E. coli and other gram positive and gram negative bacteria’s by micro dilution method.