A combined experimental and molecular simulation study of the oxidation of thioethers with hydrogen peroxide using Ti-containing zeolites as catalysts is described and discussed. Two aspects of reaction selectivity were explored. First, regioselectivity was studied for the oxidation of allyl methyl thioether with TS-1 as catalyst, and only products for the oxidation at sulfur, ie, the sulfoxide and sulfone, were observed. Second, shape-selective oxidation ...
