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The Open‐Chain Trioxide CF 3 OC(O)OOOC(O)OCF 3
Author(s) -
von Ahsen Stefan,
García Plácido,
Willner Helge,
Burgos Paci Maximiliano,
Argüello Gustavo A.
Publication year - 2003
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200304942
Subject(s) - trioxide , raman spectroscopy , chemistry , conformational isomerism , sulfur trioxide , quantum chemical , activation energy , infrared spectroscopy , dissociation (chemistry) , photochemistry , molecule , inorganic chemistry , organic chemistry , sulfur , physics , sulfuric acid , optics
The open‐chain trioxide CF 3 OC(O)OOOC(O)OCF 3 is synthesised by a photochemical reaction of CF 3 C(O)OC(O)CF 3 , CO and O 2 under a low‐pressure mercury lamp at −40 °C. The isolated trioxide is a colourless solid at −40 °C and is characterised by IR, Raman, UV and NMR spectroscopy. The compound is thermally stable up to −30 °C and decomposes with a half‐life of 1 min at room temperature. Between −15 and +14 °C the activation energy for the dissociation is 86.5 kJ mol −1 (20.7 kcal mol −1 ). Quantum chemical calculations have been performed to support the vibrational assignment and to discuss the existence of rotamers.