Title
Experimental and theoretical investigation of the parabanic acid molecule following VUV excitation and photodissociation
Date Issued
05 January 2012
Access level
metadata only access
Resource Type
journal article
Author(s)
Consejo Superior de Investigaciones Científicas
Abstract
Photodissociation experiments have been performed for the parabanic acid (C 3H 2N 2O 3) molecule in vapor phase using time-of-flight mass spectrometry and synchrotron radiation in the VUV photon energy range. Electron ion coincidence (PEPICO) spectra and partial ion yields have been recorded as a function of the photon energy covering the 11-21 eV valence range region. The resulting photoionization products as well as proposed fragmentation pathways leading to those species are presented and discussed. Electronic structure computations for the neutral and ionic species were also carried out at the B3LYP/aug-cc-pVTZ level of theory. © 2011 Elsevier B.V. All rights reserved.
Start page
40
End page
44
Volume
519-520
Language
English
OCDE Knowledge area
Química
Scopus EID
2-s2.0-83555165143
Source
Chemical Physics Letters
ISSN of the container
00092614
Sponsor(s)
The authors wish to acknowledge the staff of the Brazilian Synchrotron Light Laboratory (LNLS) for the support during the experiments. This work was financially supported by the Brazilian agencies CNPq and FAPESP, Spanish Project MICINN/CTQ2009-13 652, EU projects NMP4-SL-2008-213 669-ENSEMBLE, FP7-ICT-2009-4-248 855-N4E and FP7-ICT-2009-4-248 909-LIMA. JZD gratefully acknowledges the support of the CSIC-Programa Movilidad (PA1002640).
Sources of information: Directorio de Producción Científica Scopus