Title of article
Bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3
Author/Authors
Garcيa، نويسنده , , Plلcido and Willner، نويسنده , , Helge and Paci، نويسنده , , Maximiliano Burgos and Argüello، نويسنده , , Gustavo A. and Berends، نويسنده , , Thorsten، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
7
From page
984
To page
990
Abstract
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.
Keywords
Density functional calculations , radicals , X-ray diffraction , photochemistry , Vibrational spectroscopy
Journal title
Journal of Fluorine Chemistry
Serial Year
2005
Journal title
Journal of Fluorine Chemistry
Record number
1609025
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