title: Proton affinity and heat of formation of vinyloxy [CH2CHO]· and Acetonyl [CH2COCH3]· radicals.
abstract: Frequently found in hydrocarbon oxidation and in the photochemistry of carbonyl compounds, the β-carbonyl radicals are of interest. The experimental proton affinities of the two title radicals have been determined from proton transfer reactions (as shown) monitored in an FT-ICR mass spectrometer. This led to an estimation of their heats of formation (1: 13±3; 2: -34±3 kJ mol(-1)). Ab initio molecular orbital calculations, up to the G2 level, confirmed these results.
authors.affiliation: Département de Chimie, Laboratoire des Mécanismes Réactionnels, Ecole Polytechnique, 91128 Palaiseau Cedex, France. bouchoux@dcmr.polytechnique.fr
authors.forename: G
authors.initials: G
authors.lastname: Bouchoux
authors.forename: J
authors.initials: J
authors.lastname: Chamot-Rooke
authors.forename: D
authors.initials: D
authors.lastname: Leblanc
authors.forename: P
authors.initials: P
authors.lastname: Mourgues
authors.forename: M
authors.initials: M
authors.lastname: Sablier