Safe, One-Pot, Homogeneous Direct Synthesis of H₂O₂

Hydrogen peroxide is an environmentally friendly oxidizing agent but current synthetic methods are wasteful. This is a result of the high flammability of H₂/O₂ mixtures and/or the requirement for cocatalysts. In this paper, we report the synthesis of H₂O₂ by means of a homogeneous catalyst, which allows a safe, one-pot synthesis in water, using only H₂ and O₂. This catalyst is capable of removing electrons from H₂, storing them for the reduction of O₂, and then permitting the protonation of the reduced oxygen to H₂O₂. The turnover number (TON) is 910 under an H₂/O₂ (95/5) atmosphere (1.9 MPa) for 12 h at 23 °C, which is the highest of any homogeneous catalyst. Furthermore, we propose a reaction mechanism based on two crystal structures.