VUV photodissociation of thiazole molecule investigated by TOF-MS and photoelectron photoion coincidence spectroscopy

摘要

Photoelectron photoion coincidence measurements have been performed for the thiazole (C_3H_3NS) molecule in gas phase, using time-of-flight mass spectrometry in the electron-ion coincidence mode and vacuum ultraviolet synchrotron radiation. photoelectron photoion coincidence spectra have been recorded as a function of the photon energy covering the valence range from 10 to 21eV. The resulting photoionization products as well as the dissociation pathways leading to the ionic species were proposed and discussed. We have also performed density functional theory and ab initio calculations for the neutral molecule, its cation and the ion fragments produced in order to determine their electronic and structural parameters.