Direct spectroscopic observation of Fe(III)-phenolate complex formed from the reaction of benzene with peroxide species on Fe/ZSM-5 at room temperature

The reaction of benzene with the active oxygen species was studied by UV-visible diffuse reflectance and Raman spectroscopies. For the first time, the intermediate Fe(III)-phenolate complex was evidenced by a UV-visible absorption band at 690 nm and the Raman bands at 643, 896, 990, 1149, 1228, 1475, 1580, and 1607 cm(-1). The Raman bands of the Fe(III)-phenolate complex were also confirmed by density functional theory calculations.