CONICET | Buscador de Institutos y Recursos Humanos

Organosulfur compounds have attracted much attention and several outstanding reviews covering the chemistry of thiocyanates (RSCN) and isothiocyanates (RNCS) can be found in the chemical literature.1-3 Simple alkylated species, (R= alkyl), are very well known molecules. Recently, we became interested in the CX3SCN (X= H, Cl, F) molecules, in particular the inner shell electronic properties and the ionic fragmentation of photon excited CH3SCN following S 2p excitation were studied by using synchrotron radiation.4 The development of a neon gas filter in the TGM line at the Brazilian Synchrotron National Laboratory (LNLS) now affords ?pure? synchrotron radiation in the 12-21.5 eV range, and this has allowed us to expand the study of photoionization processes into the valence region. The combination of PES and multicoincidence Time-Of-Flight (TOF)-based techniques seems to offer a most promising approach to a deeper understanding of the electronic structure and the ionic dissociation induced by photon absorption in the valence region.5-7 Recently, we performed a study of the photon impact excitation and ionization dissociation dynamics of CClH2SCN, by using a combined approach that includes the use of HeI photoelectron spectroscopy and of photoionization under the action of synchrotron radiation in the valence region. Following these studies, we report the photon impact excitation and ionization dissociation dynamics of CCl3SCN in the 12-310 eV range. Total ion yields together with the PEPICO and PEPIPICO spectra were recorded at selected photon energies. Furthermore, the HeI photoelectron spectrum has been measured and the assignments were made with reference to the results of the SAC-CI/6-311+G*