Large scale degradation of dye wastewater under neutral conditions is one of key difficulties in dye wastewater disposal. A novel hydroxyl-substituted cobalt phthalocyanine (CoTHPc) catalyst was synthesized and characterized by NMR and high resolution mass spectrometry. The binding energies of CoTHPc and amino phthalocyanine cobalt compund (CoTAPc) with acid red G (AR1) were simulated by Siesta software. The results showed that the adsorption capacity of CoTHPc with AR1 was better than that of CoTAPc under neutral conditions. The binding ability of CoTAPc to AR1 is greatly enhanced within the existence of hydroxide radical. The effects on the performances of the CoTHPc/H2O2 and CoTAPc/H2O2 systems by different pH

temperature

oxidant concentration and isopropanol were investigated as well as the degradation mechanism. The results showed that the optimal catalytic conditions for CoTHPc were pH=7.0

T=343 K

and 20 mmol/(L H2O2)

and the optimal catalytic conditions for CoTAPc were pH=10

T=354 K

and 50 mmol/(L H2O2). The results also released that isopropanol as a free radical inhibitor does not stop or inhibit the catalytic oxidation reaction

so both CoThPc/H2O2 and CoTAPc/H2O2 systems are non-hydroxyl radical mechanisms. In summary

the CoTHPc/H2O2 catalytic system is one of feasible solutions for the degradation of complex dye wastewater under neutral conditions and has a great application prospect for complex printing and dyeing wastewater.