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Ionic Fragmentation Mechanisms of 2,2,2‐Trifluoroethanol Following Excitation with Synchrotron Radiation
Author(s) -
Bava Yanina B.,
Berrueta Martínez Yanina,
Moreno Betancourt Angélica,
Erben Mauricio F.,
Cavasso Filho Reinaldo L.,
Della Védova Carlos O.,
Romano Rosana M.
Publication year - 2015
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201402669
Subject(s) - chemistry , excited state , ion , atomic physics , synchrotron radiation , excitation , ionic bonding , valence (chemistry) , fragmentation (computing) , atomic orbital , molecular orbital , spectral line , electron , valence electron , electron shell , core electron , ionization , physics , molecule , organic chemistry , quantum mechanics , astronomy , computer science , operating system
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 CH 2 OH + . Other fragments, including ions produced by atomic rearrangements, are also detected; the most abundant are COH + , CFH 2 + and CF 2 H 2 + . 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 CH 2 OH + and CF 3 + in a concerted mechanism.