Artículo
Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
Rodriguez Pirani, Lucas Sebastian
; Erben, Mauricio Federico
; Gerones, Mariana
; Romano, Rosana Mariel
; Cavasso Filho, Reinaldo L.; Ma, Chunping; Ge, Maofa; Della Védova, Carlos Omar
Fecha de publicación:
08/2014
Editorial:
American Chemical Society
Revista:
Journal of Physical Chemistry A
ISSN:
1089-5639
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The valence electronic properties of S-ethyl flouromethanethioate (S-ethyl fluoromethsanethioate), FC(O)SCH2CH3, were investigated by means of He(I) photoelectron spectroscopy in conjunction with the analysis of the photofragmentation products determined by PEPICO (phtoelectron-photoion- coincidence) by using synchrotron radiation in the 11.1-21.6 eV photon energy range. The first band observed at 10.28 eV in the HeI photoelectron spectrum can be assigned with confidence to the ionization process from the HOMO [n π(S) orbital], which is described as a lone pair formally localized on the sulfur atom, in agreement with quantum chemical calculations using the outer valence Green function method [OVGF/6-311++G (d,p)]. One of the most important fragmentation channels also observed in the valence region corresponds to the decarbonylation process yielding the [M-CO] ·+ ion, which is clearly observed at m/z = 80. Moreover, S 2p and S 2s absorption edges have been examined by measuring the total ion yield spectra in the 160-240 eV region using variable synchrotron radiation. The dynamic of ionic fragmentation following the Auger electronic decay has been evaluated with the help of the PEPIPICO (photoion-photoion-photoelectron- coincidence spectra) technique.
Palabras clave:
Electronic Properties
,
Photodissociation
,
Photoionization
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Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Citación
Rodriguez Pirani, Lucas Sebastian; Erben, Mauricio Federico; Gerones, Mariana; Romano, Rosana Mariel; Cavasso Filho, Reinaldo L.; et al.; Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study; American Chemical Society; Journal of Physical Chemistry A; 118; 31; 8-2014; 5950-5960
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