HeI Photoelectron Spectra and Valence Synchrotron Photoionization for XC(O)SCl (X = F, Cl) compounds

MARIANA GERONÉS; MAURICIO F. ERBEN; ROSANA M. ROMANO; CARLOS O. DELLA VÉDOVA; LI YAO; MAOFA GE

JOURNAL OF PHYSICAL CHEMISTRY A

AMER CHEMICAL SOC

Año: 2008 vol. 112 p. 2228 - 2234

1089-5639

Small penta-atomic molecules like FC(O)SCl and ClC(O)SCl have been analyzed by using both photoelectron spectroscopy (PES) and results derived from the use of synchrotron radiation in the same energy range. For this second experiment total ion yield (TIY), photoelectron photoion coincidence (PEPICO), and partial ion yield (PIY) spectra have been recorded. This set of data together with results obtained by computational chemistry allow us to study electronic properties and the ionization channels of both species. Thus,  hereas the photodissociation behavior of FC(O)SCl can be divided into three well-defined energy regions, the fragmentation dynamics of ClC(O)SCl seems to be more complex. Nevertheless, simultaneous evaluation of the PES and valence synchrotron photoionization studies helps to clarify the molecular ionization processes.