Sodium and potassium salts of dichloroisocyanuric acid and their hydrates as antimicrobials agents studied by ³⁵Cl-NQR spectroscopy and DFT calculations

The electronic structure of dichloroisocyanuric acid derivatives was analysed by ³⁵Cl-NQR spectroscopy and DFT calculations. Here we concentrate our attention on three different factors: type of metallic substituent (sodium and potassium), temperature of the sample (liquid nitrogen and room) and degree of hydration (an amount of water molecules attached to analysed compounds). In particular, all the variations in ³⁵Cl-NQR frequencies upon hydration of salts containing sodium and potassium ions are explained as a consequence of H-bonds formation and accompanied effects of charge redistribution. Our studies can be useful in searching for the derivatives of dichloroisocyanuric acid revealing higher antimicrobial activity.