Bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3

The synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3, is carried out by reduction of bis(trifluoromethyl)trioxidicarbonate with excess of CO at 0 °C. The product is characterized by IR, Raman, 13C and 19F NMR spectroscopy and its properties are compared with those of the other members of the series CF3OC(O)OxC(O)OCF3, x = 0-3. Single crystals are grown at −25 °C and the X-ray diffraction analysis shows the packing of syn-syn rotamers exhibiting C2 symmetry. DFT calculations predict this rotamer as the most stable one and also structural and vibrational data are predicted reasonably well.