Purine-Functionalized\nFerrocene Derivatives: Efficient\nRedox Catalysts for Oxidation of Methyl Blue and Reduction of Trinitrophenol

Herein, we report a novel organometallic series of potent\npurine-functionalized\nferrocene derivatives (PFD) as redox catalysts. The synthesized PFDs\nwere characterized through FTIR, <sup>H/C</sup>NMR, and liquid chromatography–mass\nspectrometry (LCMS). Their thermogravimetric analysis (TGA) revealed\nthe thermal stability up to 250 °C, and degradation was noted\nin the range of 300–500 °C. Their catalytic performance\nwas tested and found for oxidative degradation of methyl blue (MB)\nup to 99% and reductive conversion of trinitrophenol (TNP) into triaminophenol\n(TAP) up to 92%, which is supported by their band gap analysis (2.7\neV). The highest unoccupied molecular orbital (HUMO) and lowest unoccupied\nmolecular orbital (LUMO) calculations confirmed the stable geometry\nof PFDs, and negative values of HOMO and LUMO have supported the oxidation\nand reduction performance of PFDs as they were noted as Vb > Va\n>\nVc > Vd > Ve due functions of variable substitution. The analysis\nof the Lagergren pseudo-first-order kinetic model, in support of catalytic\nperformance, revealed that the mobility of dye/phenol molecules with\nthe PFD is what regulates the catalytic conversion rate.