Abstract The reactions of benzhydryl sulfides Ph 2 CHSCH 2 R (R= H, CONH 2, COOH, CN) with peroxytrifluoroacetic acid in CF 3 COOH were studied experimentally and by the quantum chemical density functional theory (DFT) method and exhibited an unusual dependence on the substituent R. When R≠ H, a complicated oxidative destruction of the substrates occurs to form 2, 4, 6-tribenzhydrylphenol as one of the products, while in the ...