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dc.date.accessioned 2020-12-21T19:24:17Z
dc.date.available 2020-12-21T19:24:17Z
dc.date.issued 2012
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/111216
dc.description.abstract A combination of photoelectron spectroscopy and synchrotron based photoelectron photoion coincidence (PEPICO) spectra has been applied to investigate the electronic structure and the dissociative ionization of the CH2ClSCN molecule in the valence region. The PES is assigned with the electronic structure calculations at the outer-valence Green’s function and symmetry adapted cluster/configuration interaction (SAC-CI) levels offer an explanation of our experimental results. Upon vacuum ultraviolet irradiation the lowlying radical cation, located at 10.39 eV is formed. The molecular ion is observed in the time-of-flight mass spectra, together with the CH2SCN⁺ and CH2Cl⁺ daughter ions. The total ion yield spectra have been measured in the S 2p and Cl 2p regions and several channels have been determined in dissociative photoionization events for the coreexcited species. Thus, by using time-of-flight mass spectrometry and synchrotron radiation the relative abundances of the ionic fragments and their kinetic energy release values were obtained from both PEPICO and photoelectron photoion photoion coincidence spectra. Possible fragmentation processes are discussed and compared with that found for the related CH3SCN species. en
dc.format.extent 231-241 es
dc.language en es
dc.subject Thiocyanates es
dc.subject electronic structure es
dc.title Electronic Properties and Dissociative Photoionization of Thiocyanates en
dc.type Articulo es
sedici.identifier.uri https://pubs.acs.org/doi/10.1021/jp208232t es
sedici.identifier.other https://doi.org/10.1021/jp208232t es
sedici.identifier.issn 1520-5215 es
sedici.title.subtitle Part II. Valence and Shallow-Core (Sulfur and Chlorine 2p) Regions of Chloromethyl Thiocyanate, CH2ClSCN en
sedici.creator.person Rodríguez Pirani, Lucas es
sedici.creator.person Geronés, Mariana es
sedici.creator.person Della Védova, Carlos Omar es
sedici.creator.person Romano, Rosana Mariel es
sedici.creator.person Fantoni, Adolfo Carlos es
sedici.creator.person Cavasso Filho, Reinaldo es
sedici.creator.person Ma, Chunping es
sedici.creator.person Ge, Maofa es
sedici.creator.person Erben, Mauricio Federico es
sedici.subject.materias Ciencias Exactas es
sedici.description.fulltext true es
mods.originInfo.place Facultad de Ciencias Exactas es
mods.originInfo.place Centro de Química Inorgánica es
mods.originInfo.place Instituto de Física La Plata es
mods.originInfo.place Laboratorio de Servicios a la Industria y al Sistema Científico es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-sa/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle The Journal of Physical Chemistry A es
sedici.relation.journalVolumeAndIssue vol. 116, no. 1 es


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Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) Except where otherwise noted, this item's license is described as Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)