Synthesis, UV-Vis spectrophotometric titration and theoretical calculations of 6-hydroxy-4-methyl-3-(pyridinium-1-yl)-2-pyridone

Abstract

U ovom radu prikazana je sinteza i karakterizacija 6-hidroksi-4-metil-3-(piridinijum-1-il)-2-piridona. Sintetisano jedinjenje dobijeno je u obliku dipol-jona. Spektrofotometrijskom titracijom u rastvoru etanola ispitan je uticaj pH vrijednosti na strukturu jedinjenja. Kako bi se detaljno opisala struktura derivata 2-piridona, eksperimentalno dobijene vrijednosti dobijenih apsorpcionih maksimuma upoređeni su sa kvantno-hemijskim proračunima optimizovanih geometrija i teorijskih UV-Vis spektara pri različitim pH vrijednostima.In this research, synthesis and characterization of 6-hydroxy-4-methyl-3-(pyridinium-1-yl)-2-pyridone was shown. Synthesized compound was achieved in the zwitterionic form. UV-Vis spectrophotometric titration was performed in order to examine the influence of pH values on the structure of the compound. For the purpose of detail characterization of 2-pyridone derivative, experimentally obtained results were compared to quantum-chemical calculations of optimized geometries and theoretical UV-Vis spectra of solution for different pH values