cris.boxmetadata.label.title
Experimental and theoretical investigation of the parabanic acid molecule following VUV excitation and photodissociation
cris.boxmetadata.label.dateissued
05 browse.startsWith.months.january 2012
cris.boxmetadata.label.accesslevel
metadata only access
cris.boxmetadata.label.resourcetype
journal article
cris.boxmetadata.label.authors
Lago A.
Oliva J.
DAVALOS PRADO, JUAN ZENON
Consejo Superior de Investigaciones Científicas
cris.boxmetadata.label.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.
cris.boxmetadata.label.citationstartpage
40
cris.boxmetadata.label.citationendpage
44
cris.boxmetadata.label.volume
519-520
cris.boxmetadata.label.language
English
cris.boxmetadata.label.ocdeknowledgeArea
Química
cris.boxmetadata.label.doi
cris.boxmetadata.label.scopusidentifier
2-s2.0-83555165143
cris.boxmetadata.label.source
Chemical Physics Letters
cris.boxmetadata.label.containerissn
00092614
cris.boxmetadata.label.sponsor
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).
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