Is degradation of dyes even possible without using photocatalysts? – a detailed comparative study

, respectively, for MG and CV. The self-degradation mechanism was further corroborated by the quantum calculations, while the formation of final degraded products for dye-degradations was established on the basis of mass spectroscopy and total organic carbon (TOC) analysis. The computed emission energies for MG and CV advocate that the excitation energy occurs due to the sole-attribution electron excitation from the Highest Occupied Molecular Orbital (HOMO) to the Lowest Unoccupied Molecular Orbital (LUMO). The close energy difference between the hydroxyl anions and the dyes also facilitates the creation of the hydroxyl radical. In a similar manner, the excited electrons from the aforementioned dyes may readily be transferred to triplet molecular oxygen, which makes it possible to generate super oxide. The radical generated in the process facilitates the self-degradation of the dyes.