Theoretical study of the molecular conformations, vibrational frequencies and thermochemistry of the FC(O)OOO(O)CF, FS(O2)OOO(O2)SF and FC(O)OOO(O2)SF trioxides

► Theoretical calculations allowed to determinate the conformers of three trioxides. ► Standard enthalpies of formation are predicted from isodesmic reactions. ► Also the OO bond dissociation enthalpies were calculated at high levels of theory. ► The results suggest that studied trioxides are stable species at room temperature.