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VUV photodissociation of thiazole molecule investigated by TOF‐MS and photoelectron photoion coincidence spectroscopy
Author(s) -
Lago A. F.,
Januário R. D.,
Simon M.,
Dávalos J. Z.
Publication year - 2014
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3443
Subject(s) - chemistry , photoionization , photodissociation , ion , photon energy , valence (chemistry) , ultraviolet photoelectron spectroscopy , photoemission spectroscopy , molecule , mass spectrometry , density functional theory , ab initio , atomic physics , x ray photoelectron spectroscopy , photochemistry , electronic structure , computational chemistry , photon , ionization , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics , chromatography
Photoelectron photoion coincidence measurements have been performed for the thiazole (C 3 H 3 NS) 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 21 eV. 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. Copyright © 2014 John Wiley & Sons, Ltd.