title: Ionic fragmentation mechanisms of 2,2,2-trifluoroethanol following excitation with synchrotron radiation.
abstract: Gaseous 2,2,2-trifluoroethanol (TFE) is excited with synchrotron radiation between 10 and 1000 eV and the ejected electrons and positive ions are detected in coincidence. In the valence-electron energy region, the most abundant species is CH2 OH(+) . Other fragments, including ions produced by atomic rearrangements, are also detected; the most abundant are COH(+) , CFH2 (+) and CF2 H2 (+) . The energies of electronic transitions from C 1 s, O 1 s and F 1 s orbitals to vacant molecular orbitals are determined. A site-specific C 1 s excitation is observed. The photofragmentation mechanisms after the excitation of core-shell electrons are inferred from analysis of the shape and slope of the coincidence between two charged fragments in the bi-dimensional coincidence spectra. The spectra are dominated by islands that correspond to the coincidence of H(+) with several charged fragments. One of the most important channels leads to the formation of CH2 OH(+) and CF3 (+) in a concerted mechanism.
authors.affiliation: CEQUINOR (CONICET-UNLP), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, 47 esq. 115, (1900) La Plata (Argentina).
authors.forename: Yanina B
authors.initials: YB
authors.lastname: Bava
authors.forename: Yanina
authors.initials: Y
authors.lastname: Berrueta Martínez
authors.forename: Angélica
authors.initials: A
authors.lastname: Moreno Betancourt
authors.forename: Mauricio F
authors.initials: MF
authors.lastname: Erben
authors.forename: Reinaldo L
authors.initials: RL
authors.lastname: Cavasso Filho
authors.forename: Carlos O
authors.initials: CO
authors.lastname: Della Védova
authors.forename: Rosana M
authors.initials: RM
authors.lastname: Romano
keywords: gas-phase reactions; ionization potentials; photochemistry; radicals; valence isomerization