Ionic Fragmentation Mechanisms of 2,2,2-Trifluoroethanol Following Excitation with Synchrotron Radiation

BABA, YANINA; BERRUETA MARTÍNEZ, YANINA; MORENO BETANCOURT, ANGÉLICA; ERBEN, MAURICIO FEDERICO; CAVASSO FILHO, REINALDO; DELLA VÉDOVA, CARLOS OMAR; ROMANO, ROSANA MARIEL

Chemphyschem

WILEY-V C H VERLAG GMBH

Lugar: Weinheim; Año: 2015 vol. 16 p. 322 - 330

1439-4235

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 valenceelectronenergy region, the most abundant species is CH2OH+. Other fragments, including ions produced by atomic rearrangements, are also detected; the most abundant are COH+, CFH2+ and CF2H2+. The energies of electronic transitions from C 1 s, O 1s and F 1 s orbitals to vacant molecular orbitals are determined. A site-specific C 1s excitation is observed. The photofragmentation mechanisms after the excitation of coreshell electrons are inferred from analysis of the shape andslope 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 CH2OH+ and CF3+ in a concerted mechanism.