692-74-0Relevant academic research and scientific papers
Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF3OC(O)OC(O)F
Manetti, Martín M.,Argüello, Gustavo A.,Paci, Maxi A. Burgos
experimental part, p. 16 - 20 (2012/10/08)
In the present work the synthesis of the trifluoromethoxyl fluoroformyl anhydride is presented for the first time. Two strategies were employed to obtain CF3OC(O)OC(O)F: the thermal decomposition of CF 3OC(O)OOOC(O)F in excess of CO, and the reaction between CF 3OC(O)OOC(O)F, FC(O)OOC(O)F and CO. A mechanism was proposed taking into account reaction rates and thermal stability of the intermediates. DFT calculations at B3LYP/6-311+G* level were used to explore the conformational space of this molecule and the relative populations of conformers at room temperature, and to simulate the experimental vibrational spectrum. This molecule completes the family of the asymmetric oxygen bonded acyl compounds CF3OC(O)OxC(O)F with x = 1-3.
The reaction of dioxygenyl salts with 13CO Formation of F13C(O)13C(O)F
Pernice,Willner,Eujen
, p. 277 - 281 (2007/10/03)
Oxalyl fluoride has been prepared directly in high yield from CO and the dioxygenyl salts O2[BF4] or O2[AsF6]. The formation of intermediate FCO radicals is indicated by differences in reaction rates and the observation of FC(O)OOC(O)F as a by-product. From the analysis of the NMR spectra of 13C enriched FC(O)C(O)F including selective irradiation experiments positive signs for both the FF (+50.6 Hz) and CC (+126.1 Hz) coupling constants are deduced. From the temperature dependency of 3J(FF), values of +70 Hz and -10 Hz are estimated for the trans- and cis-rotamers, respectively.
FTIR-spectroscopic study of reactions of FCO and FC(O)OO radicals in the presence of O2 and NO2
Bednarek,Argueello,Zellner
, p. 445 - 454 (2007/10/03)
Steady-state photolysis of oxalylfluoride (FC(O)C(O)F) together with FTIR-spectroscopy has been used to investigate the reactions of FCO and FC(O)OO radicals in the presence of O2 and NO2. Formation of FCO radicals has been identified as the main photodissociation process of oxalylfluoride at λ = 254 nm. However, a quantum yield of φ = O.11 ± 0.02 was attributed to the direct formation of CF2O and CO in this process, in the presence of O2, the products of reactions of FC(O)Ox(x = 0, 1, 2) radicals were bis-fluoroformylperoxide (FC(O)OOC(O)F) and bis-fluoroformyltrioxide (FC(O)OOOC(O)F), as well as CF2O, CO and CO2. Addition of NO2 to the reaction system led to the formation of fiuoroformylperoxynitrate (FC(O)OONO2). The rate constant for the thermal decomposition of fiuoroformylperoxynitrate in the temperature range 275 - 307 K was measured to be k (T) = 3.5×1016 exp(-13900-+2600/T)s-1. For bis-fluoroformyltrioxide, a rate constant for thermal decomposition of 6.0×10-4 s-1 was measured at temperatures around 250 K. The thermal stability of bisfluoroformyltrioxide and fiuoroformylperoxynitrate is discussed in terms of a comparison with the stability of similar molecules. VCH Verlagsgesellschaft mbH, 1996.
