The Photo-Fenton System

Exploring Ligand-to-Metal Charge-Transfer States in the Photo-Ferrioxalate System Using Excited-State Specific Optimization

“…The photoferrioxalate system (PFS) [Fe(III)(C 2 O 4 )] 3– has been used innumerable times for the chemical actinometry in liquid systems. − Recently, it has been extensively applied in wastewater and environment treatment. − The photolysis of PFS generates various reactive intermediates, such as Fe(II) and reactive oxygen species (ROS), including O •– , • OH, and H 2 O 2 , that are significant for the oxidative decontamination of organic substances in the environment and engineered systems. This photoreduction is conventionally expressed as 2 false[ Fe ( III ) false( normalC 2 normalO 4 false) 3 false] 3 − + h ν → 2 false[ Fe ( II ) false( normalC 2 normalO 4 false) 2 false] 2 − + 2 CO 2 + ( C 2 O 4 ) 2 − Understanding its prime mechanisms is crucial to optimizing the reactive paths and to controlling their outcomes.…”