Abstract
The synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF 3OC(O)OC(O)OCF 3, 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 CF 3OC(O)O x C(O)OCF 3, x = 0–3. Single crystals are grown at −25 °C and the X-ray diffraction analysis shows the packing of syn– syn rotamers exhibiting C 2 symmetry. DFT calculations predict this rotamer as the most stable one and also structural and vibrational data are predicted reasonably well.
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