Application of Electronic Spectroscopy and Quantum-Chemical Modeling for Analysis of Products of Autoxidation of Adrenaline

The spontaneous oxidation of adrenaline in an alkaline medium was investigated by electronic spectroscopy. It was shown that the pH of the medium has an effect on the position of the maxima in the absorption spectrum of adrenaline. Analysis of the absorption spectra of the reaction medium during the oxidation process revealed the dynamics of change in the optical density of the products. The spectra of adrenaline, adrenolutine, and adrenochrome were calculated theoretically by quantum chemical methods within the scope of density functional theory. A procedure was developed for quantitative analysis of the products from autoxidation of adrenaline.