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O- versus F-protonation in (CF3CF2)2O and CF3OCF(CF3)2: a preliminary theoretical study |
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| Authors: | Michle Fontaine Joseph Delhalle Mireille Defranceschi Grard Lcayon |
| Institution: | aLaboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, 61, Rue de Bruxelles, B-5000 Namur, Belgium bCommissariat à l'Energie Atomique — Centre de Saclay, DSM-DRECAM-SRSIM, bât 462, F-9119I Gif-sur-Yvette Cédex, France |
| Abstract: | The relative modifications induced in the structure of perfluorodiethyl ether (CF3CF2)2O and perfluoroisopropyl methyl ether CF3OCF(CF3)2 by oxygen and fluorine protonation are studied at the RHF level with the 3–21G basis and correlated with their proton affinities and dissociation energies. |
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