Photocatalytic degradation of ibuprofen using titanium oxide: insights into the mechanism and preferential attack of radicals
Maicon Oliveira Miranda, Wesley Eulálio Cabral Cavalcanti, Felipe Fernandes Barbosa, José Antônio de Sousa, Francisco Ivan da Silva, Sibele B. C. Pergher, Tiago Pinheiro Braga
Abstract
˙ and OOH˙) are produced in the reaction sequence and contribute strongly to the oxidation and mineralization of ibuprofen and by-products, but the hydroxyl radical has a greater oxidation capacity. The simple study using the DFT approach demonstrated that the OH˙ radical attacks preferentially in the region of the ibuprofen molecule with high electronic density, which is located close to the aromatic ring (C[double bond, length as m-dash]C bond). The presence of the OH˙ radical was confirmed through a model reaction using salicylic acid as a probe molecule.
Topics & Concepts
PhotocatalysisRadicalDegradation (telecommunications)PhotochemistryMechanism (biology)ChemistryIbuprofenOxideTitaniumTitanium oxideChemical engineeringCatalysisOrganic chemistryEpistemologyEngineeringComputer scienceMedicineTelecommunicationsPharmacologyPhilosophyAdvanced Photocatalysis TechniquesGas Sensing Nanomaterials and SensorsTiO2 Photocatalysis and Solar Cells