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dc.creatorRamírez Varas, Lautaro
dc.creatorCoutinho, Lucia Helena
dc.creatorBernini, R. B.
dc.creatorMoreno Betancourt, Angélica
dc.creatorde Moura, Carlos E. V.
dc.creatorRocha, Alexandre Braga da
dc.creatorde Souza, Gerardo Gerson Bezerra
dc.date.accessioned2019-11-08T16:31:41Z
dc.date.available2019-11-08T16:31:41Z
dc.date.issued2017-07-15
dc.identifier.citationhttps://pubs.rsc.org/en/content/articlepdf/2017/ra/c7ra05001aes_ES
dc.identifier.issn2046-2069
dc.identifier.urihttp://hdl.handle.net/10669/79813
dc.description.abstractIn order to study the stability of the disulfide chemical bond in molecules subjected to a flux of high energy photons, the ionic fragmentation of two molecules containing a disulfide chemical bond, dimethyl disulfide (DMDS) and methyl propyl disulfide (MPDS), has been studied following excitation around the S 1s edge (∼2470 eV). Synchrotron radiation and electron-ion coincidence techniques were used. The core excited states of DMDS and MPDS have also been theoretically investigated at the multiconfigurational self-consistent field (MCSCF) level and multireference perturbation theory. Deep core excitation (S 1s) induces multiple ionization and intense fragmentation of the molecules, as clearly demonstrated by the observation of cations such as S+, S2+ and S3+. Splitting of the S+ peak is observed in the mass spectra of the two molecules when they are excited to a resonant state with antibonding (S–S) character. Although fragments associated with the breakage of the disulfide bond (S+ and CHnS+) play a dominant role in the dissociation of the molecules, a fragment containing the disulfide chemical bond, S2+, survives, nevertheless, at all photon energies.es_ES
dc.description.sponsorshipBrazilian Synchrotron Light Facility//LNLS/Brasiles_ES
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico//CNPq/Brasiles_ES
dc.description.sponsorshipFundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro//FAPERJ/Brasiles_ES
dc.description.sponsorshipUniversidad de Costa Rica//UCR/Brasiles_ES
dc.language.isoen_USes_ES
dc.sourceRSC Adv., 2017, 7, 36525–36532 | 36525es_ES
dc.subjectSynchrotrones_ES
dc.subjectNEXAFSes_ES
dc.subjectPEPIPICOes_ES
dc.subjectBio-moleculeses_ES
dc.subjectMass Spectoscopyes_ES
dc.subjectDMDS PMDSes_ES
dc.titleBreaking the disulfide chemical bond using high energy photons: the dimethyl disulfide and methyl propyl disulfide moleculeses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.identifier.doi10.1039/c7ra05001a
dc.description.procedenceUCR::Vicerrectoría de Docencia::Ingeniería::Facultad de Ingeniería::Escuela de Ingeniería Químicaes_ES
dc.identifier.codproyecto325-B6-280


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