title: Electronic properties of FC(O)SCH2CH3. a combined helium(I) photoelectron spectroscopy and synchrotron radiation study.
abstract: 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 [nπ(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.
authors.affiliation: CEQUINOR (CONICET-UNLP), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata , C. C. 962 (1900) La Plata, República Argentina.
authors.forename: Lucas S
authors.initials: LS
authors.lastname: Rodríguez Pirani
authors.forename: Mauricio F
authors.initials: MF
authors.lastname: Erben
authors.forename: Mariana
authors.initials: M
authors.lastname: Geronés
authors.forename: Rosana M
authors.initials: RM
authors.lastname: Romano
authors.forename: Reinaldo L
authors.initials: RL
authors.lastname: Cavasso Filho
authors.forename: Chunping
authors.initials: C
authors.lastname: Ma
authors.forename: Maofa
authors.initials: M
authors.lastname: Ge
authors.forename: Carlos O
authors.initials: CO
authors.lastname: Della Védova