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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.
https://hal-polytechnique.archives-ouvertes.fr/hal-00918626
Contributor : Denis Roura Connect in order to contact the contributor
Submitted on : Friday, December 13, 2013 - 8:26:42 PM
Last modification on : Wednesday, December 15, 2021 - 10:03:02 AM
Contributor : Denis Roura Connect in order to contact the contributor
Submitted on : Friday, December 13, 2013 - 8:26:42 PM
Last modification on : Wednesday, December 15, 2021 - 10:03:02 AM
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