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

Lan Nguyen Tran, Eric Neuscamman

The photo-ferrioxalate system (PFS), [Fe(III)(C${}_2$O${}_4$)]${}^{3-}$, more than an exact chemical actinometer, has been extensively applied in wastewater and environment treatment. De…