Study of the Photodissociation Process of ClC(O)SCH3 Using both Synchrotron Radiation and HeI Photoelectron Spectroscopy in the Valence Region

MARIANA GERONÉS, MAURICIO F. ERBEN, MAOFA GE, REINALDO L. CAVASSO FILHO, ROSANA M. ROMANO AND CARLOS O. DELLA VÉDOVA

JOURNAL OF PHYSICAL CHEMISTRY A

AMER CHEMICAL SOC

Lugar: Washington; Año: 2010 vol. 114 p. 8049 - 8055

1089-5639

The simultaneous evaluation of the PES and valence synchrotron photoionization studies complemented by the results of quantum chemical calculations offers unusually detailed insights into the valence ionization processes of small covalent molecules. Thus, methyl thiochloroformate, ClC(O)SCH3, has been investigated by using results from both photoelectron spectroscopy (PES) and synchrotron radiation in the valence energy range. In an additional series of experiments, total ion yield (TIY) and photoelectron-photoion coincidence (PEPICO) spectra have been recorded. Furthermore, the relative yields for ionic fragments have been determined as a function of the photon energy. Vibronic structure has been observed in the TIY spectrum recorded in the synchrotron experiments. The photodissociation behavior of ClC(O)SCH3 can be divided into two welldefined energy regions.3, has been investigated by using results from both photoelectron spectroscopy (PES) and synchrotron radiation in the valence energy range. In an additional series of experiments, total ion yield (TIY) and photoelectron-photoion coincidence (PEPICO) spectra have been recorded. Furthermore, the relative yields for ionic fragments have been determined as a function of the photon energy. Vibronic structure has been observed in the TIY spectrum recorded in the synchrotron experiments. The photodissociation behavior of ClC(O)SCH3 can be divided into two welldefined energy regions.-photoion coincidence (PEPICO) spectra have been recorded. Furthermore, the relative yields for ionic fragments have been determined as a function of the photon energy. Vibronic structure has been observed in the TIY spectrum recorded in the synchrotron experiments. The photodissociation behavior of ClC(O)SCH3 can be divided into two welldefined energy regions.3 can be divided into two welldefined energy regions.