Continuous photocatalytic preparation of hydrogen peroxide with anthraquinone photosensitizers.

Hydrogen peroxide (H2O2) is a versatile oxidant, and its eco-friendly synthesis via visible light and air oxygen is crucial. Anthraquinone compounds were employed as homogeneous photocatalysts for alcohol oxidation, yielding H2O2 under visible light. Instead of using traditional catalyst library screening, a model based on density functional theory was proposed to structurally optimize anthraquinone photocatalysts, resulting in the discovery of a novel catalyst significantly boosting H2O2 generation (up to 621.2 mM h-1 intermittently). Continuous flow reactor design improvements can enhance chemical transformation efficiency, as demonstrated by continuous H2O2 production using 2,6-di-tert-butyl anthraquinone. When isopropanol was used as the hydrogen atom donor, H2O2 production rates reached 3950.6 mM h-1 in a 7-minute reaction, with a space--time yield of 7.90 mol (L h) -1, showcasing promising advancements in green H2O2 synthesis. [ABSTRACT FROM AUTHOR]